| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.9 | Low | 90 | Very high | 236 Ų | 236 | 77.3 Ų | 77.3 | 100% | 1.163 | 42% | 0.415 | S | S | * | . | 0 | 121.5 | 0 | -61.2 | 176.4 | -154.7 | 0 | 0 | 105.5 | L3 | M1-L3 PolarHBondContact O-N 3.49Š| |||
| 2 | S | 81.5 | Confident | 90.7 | Very high | 60 Ų | 60 | 74.8 Ų | 74.8 | 42% | 0.42 | 40% | 0.402 | S | S | . | . | trans | -94.5 | 97.7 | -175.7 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | L4 N5 | S2-L4 PolarHBondContact O-N 2.76Å; S2-L4 WeakPolarHBondContact OG-CB 3.18Å; S2-N5 PolarHBondContact O-N 3.38Å | ||
| 3 | L | 90.5 | Very high | 91.2 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -58.8 | -25.6 | 168.8 | -70.1 | 173.7 | 0 | 0 | 0 | 111.5 | M1 N5 V6 V19 I33 N60 V85 | M1-L3 PolarHBondContact O-N 3.49Å; L3-N5 PolarHBondContact O-N 3.19Å; L3-N5 VanDerWaalsContact O-N 3.16Å; L3-V6 HydrophobicContact CD2-CG2 4.38Å; L3-V6 WeakPolarHBondContact O-CB 3.21Å; L3-V6 WeakPolarHBondContact O-CG2 3.4Å; L3-V6 PolarHBondContact O-N 3.45Å; L3-V6 VanDerWaalsContact O-N 3.09Å; L3-V19 HydrophobicContact CD1-CG1 3.99Å; L3-V19 HydrophobicContact CD2-CG1 3.9Å; L3-V19 HydrophobicContact CG-CG1 4.43Å; L3-I33 HydrophobicContact CD1-CD1 3.57Å; L3-I33 HydrophobicContact CD1-CG1 4.07Å; L3-I33 HydrophobicContact CD1-CG2 4.2Å; L3-N60 PolarHBondContact O-ND2 3.38Å; L3-V85 HydrophobicContact CD2-CG2 4.03Å |
| 4 | L | 86.7 | Confident | 91.7 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -59.9 | -26.3 | 178.9 | -50.4 | 176.7 | 0 | 0 | 0 | 113.3 | S2 K35 N60 | S2-L4 PolarHBondContact O-N 2.76Å; S2-L4 WeakPolarHBondContact OG-CB 3.18Å; L4-K35 WeakPolarHBondContact CD2-O 3.41Å; L4-N60 PolarHBondContact O-ND2 3.49Å |
| 5 | N | 91 | Very high | 92.2 | Very high | 130 Ų | 130 | 68.2 Ų | 68.2 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -95.7 | 3.8 | -178.4 | -65 | -18.9 | 0 | 0 | 0 | 113.3 | S2 L3 P7 | S2-N5 PolarHBondContact O-N 3.38Å; L3-N5 PolarHBondContact O-N 3.19Å; L3-N5 VanDerWaalsContact O-N 3.16Å; N5-P7 WeakPolarHBondContact O-CD 3.12Å |
| 6 | V | 95.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | trans | -73.8 | 117.1 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | L3 V19 N60 H61 V85 | L3-V6 HydrophobicContact CD2-CG2 4.38Å; L3-V6 WeakPolarHBondContact O-CB 3.21Å; L3-V6 WeakPolarHBondContact O-CG2 3.4Å; L3-V6 PolarHBondContact O-N 3.45Å; L3-V6 VanDerWaalsContact O-N 3.09Å; V6-V19 HydrophobicContact CG1-CG2 4.38Å; V6-N60 WeakPolarHBondContact O-CB 3.44Å; V6-N60 PolarHBondContact O-ND2 3.05Å; V6-H61 PolarHBondContact O-CD2 3.16Å; V6-H61 PolarHBondContact O-NE2 3.25Å; V6-V85 HydrophobicContact CG1-CG1 3.77Å; V6-V85 HydrophobicContact CG1-CG2 4.14Å; V6-V85 HydrophobicContact CG2-CG2 3.89Å | ||
| 7 | P | 96.7 | Very high | 93 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | trans | -65 | 158.7 | 177.4 | 28.5 | -34 | 0 | 0 | 0 | 110.5 | N5 G9 Y17 | N5-P7 WeakPolarHBondContact O-CD 3.12Å; P7-G9 PolarHBondContact O-N 3.44Å; P7-Y17 HydrophobicContact CG-CD2 3.99Å; P7-Y17 HydrophobicContact CG-CE2 4.02Å; P7-Y17 WeakPolarHBondContact O-CD2 3.38Å | ||
| 8 | A | 97.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -57.9 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 I16 Y17 I59 N60 H61 F170 | A8-L12 HydrophobicContact CB-CD1 3.89Å; A8-L12 HydrophobicContact CB-CD2 3.82Å; A8-L12 HydrophobicContact CB-CG 4.4Å; A8-I16 WeakPolarHBondContact O-CA 3.47Å; A8-Y17 PolarHBondContact O-N 3.27Å; A8-I59 HydrophobicContact CB-CG2 3.85Å; A8-I59 WeakPolarHBondContact O-CG2 3.15Å; A8-N60 WeakPolarHBondContact CA-O 3.37Å; A8-N60 WeakPolarHBondContact CB-O 3.2Å; A8-H61 HydrophobicContact CB-CB 4.49Å; A8-F170 HydrophobicContact CB-CD2 4.02Å; A8-F170 HydrophobicContact CB-CE2 3.93Å |
| 9 | G | 97.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -179 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P7 D15 | P7-G9 PolarHBondContact O-N 3.44Å; G9-D15 CarbonylContact C-O 3.57Å; G9-D15 WeakPolarHBondContact CA-O 3.34Å |
| 10 | K | 96.4 | Very high | 93.8 | Very high | 130 Ų | 130 | 53.4 Ų | 53.4 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -29.6 | 171.5 | -87 | 179.7 | 163 | 170.5 | 0 | 112.8 | D15 Y17 | K10-D15 HydrophobicContact CB-CB 4.42Å; K10-D15 WeakPolarHBondContact CB-OD2 3.17Å; K10-D15 PolarHBondContact N-O 3.36Å; K10-Y17 WeakPolarHBondContact CD-OH 3.5Å; K10-Y17 WeakPolarHBondContact CE-OH 3.3Å; K10-Y17 HydrophobicContact CG-CE2 3.91Å |
| 11 | D | 97.7 | Very high | 94 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 90.2 | -177.2 | -173 | 20.9 | 0 | 0 | 0 | 108.7 | E14 D15 | D11-E14 PolarHBondContact O-N 3.45Å; D11-D15 HydrophobicContact CB-CB 3.99Å; D11-D15 PolarHBondContact N-O 3.12Å; D11-D15 PolarHBondContact O-N 3.16Å |
| 12 | L | 97.8 | Very high | 95.9 | Very high | 48 Ų | 48 | 40 Ų | 40 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 142.5 | -177.2 | -87.2 | 71.2 | 0 | 0 | 0 | 110.7 | A8 I166 F170 | A8-L12 HydrophobicContact CB-CD1 3.89Å; A8-L12 HydrophobicContact CB-CD2 3.82Å; A8-L12 HydrophobicContact CB-CG 4.4Å; L12-I166 HydrophobicContact CD2-CG2 3.98Å; L12-I166 HydrophobicContact CG-CG2 4.19Å; L12-F170 HydrophobicContact CD2-CB 3.97Å; L12-F170 HydrophobicContact CD2-CD1 3.92Å; L12-F170 HydrophobicContact CD2-CD2 3.69Å; L12-F170 HydrophobicContact CD2-CE1 4.25Å; L12-F170 HydrophobicContact CD2-CE2 4.13Å; L12-F170 HydrophobicContact CD2-CG 3.61Å; L12-F170 HydrophobicContact CD2-CZ 4.39Å |
| 13 | P | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 16% | 0.156 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.5 | 2.4 | -2.1 | 34.2 | -33.7 | 0 | 0 | 0 | 114.6 | P90 K163 I166 V167 | P13-P90 WeakPolarHBondContact O-CD 3.45Å; P13-P90 WeakPolarHBondContact O-CG 3.23Å; P13-K163 HydrophobicContact CB-CB 3.82Å; P13-K163 HydrophobicContact CB-CG 3.97Å; P13-K163 HydrophobicContact CG-CB 3.56Å; P13-K163 HydrophobicContact CG-CD 4.22Å; P13-K163 HydrophobicContact CG-CG 3.78Å; P13-I166 HydrophobicContact CB-CB 4.01Å; P13-I166 HydrophobicContact CB-CD1 4.28Å; P13-I166 HydrophobicContact CB-CG2 3.97Å; P13-V167 HydrophobicContact CB-CG2 3.96Å; P13-V167 HydrophobicContact CG-CG2 3.83Å |
| 14 | E | 98.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 37.8 Ų | 37.8 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -29.5 | -169.2 | -59.5 | -63.1 | 162.7 | 0 | 0 | 114.5 | D11 K163 | D11-E14 PolarHBondContact O-N 3.45Å; E14-K163 VanDerWaalsContact CD-NZ 3.34Å; E14-K163 WeakPolarHBondContact OE1-CD 3.3Å; E14-K163 VanDerWaalsContact OE1-CE 3.23Å; E14-K163 WeakPolarHBondContact OE1-CE 3.24Å; E14-K163 IonicContact OE1-NZ 2.88Å; E14-K163 PolarHBondContact OE1-NZ 3.29Å; E14-K163 WeakPolarHBondContact OE2-CE 3.41Å; E14-K163 IonicContact OE2-NZ 3.69Å; E14-K163 PolarHBondContact OE2-NZ 3.18Å; E14-K163 VanDerWaalsContact OE2-NZ 3.1Å |
| 15 | D | 98.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 94.6 | -170.8 | -176.4 | -10.6 | 0 | 0 | 0 | 110.1 | G9 K10 D11 R87 H111 | G9-D15 CarbonylContact C-O 3.57Å; G9-D15 WeakPolarHBondContact CA-O 3.34Å; K10-D15 HydrophobicContact CB-CB 4.42Å; K10-D15 WeakPolarHBondContact CB-OD2 3.17Å; K10-D15 PolarHBondContact N-O 3.36Å; D11-D15 HydrophobicContact CB-CB 3.99Å; D11-D15 PolarHBondContact N-O 3.12Å; D11-D15 PolarHBondContact O-N 3.16Å; D15-R87 WeakPolarHBondContact OD1-CD 3.44Å; D15-R87 WeakPolarHBondContact OD1-CG 3.36Å; D15-R87 IonicContact OD1-CZ 3.2Å; D15-R87 IonicContact OD1-NE 3.03Å; D15-R87 PolarHBondContact OD1-NE 2.64Å; D15-R87 IonicContact OD1-NH2 2.62Å; D15-R87 IonicContact OD2-CZ 3.28Å; D15-R87 IonicContact OD2-NE 3.68Å; D15-R87 PolarHBondContact OD2-NE 2.74Å; D15-R87 IonicContact OD2-NH2 2.73Å; D15-R87 PolarHBondContact OD2-NH2 2.76Å; D15-H111 IonicContact OD1-CD2 3.1Å; D15-H111 IonicContact OD2-CD2 3.96Å; D15-H111 IonicContact OD2-NE2 2.78Å |
| 16 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 156.2 | -172.2 | 60.3 | 169 | 0 | 0 | 0 | 111.8 | A8 V18 I59 R87 C88 A108 I166 | A8-I16 WeakPolarHBondContact O-CA 3.47Å; I16-V18 HydrophobicContact CD1-CG2 4.11Å; I16-V18 HydrophobicContact CG1-CG2 4.48Å; I16-I59 HydrophobicContact CB-CD1 4.3Å; I16-I59 HydrophobicContact CD1-CD1 3.62Å; I16-I59 HydrophobicContact CD1-CG1 4.24Å; I16-I59 HydrophobicContact CG2-CD1 4.27Å; I16-R87 CarbonylContact O-C 3.59Å; I16-R87 WeakPolarHBondContact O-CA 3.3Å; I16-C88 HydrophobicContact CD1-CB 4.39Å; I16-C88 HydrophobicContact CG1-CB 4Å; I16-C88 PolarHBondContact N-O 2.62Å; I16-C88 PolarHBondContact O-N 2.73Å; I16-A108 HydrophobicContact CD1-CB 4Å; I16-I166 HydrophobicContact CD1-CD1 4.29Å; I16-I166 HydrophobicContact CG2-CD1 4.05Å; I16-I166 HydrophobicContact CG2-CG2 4.29Å |
| 17 | Y | 98.7 | Very high | 98 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.7 | 166.5 | -73.3 | -58.2 | 0 | 0 | 0 | 109.7 | P7 A8 K10 V85 I86 R87 | P7-Y17 HydrophobicContact CG-CD2 3.99Å; P7-Y17 HydrophobicContact CG-CE2 4.02Å; P7-Y17 WeakPolarHBondContact O-CD2 3.38Å; A8-Y17 PolarHBondContact O-N 3.27Å; K10-Y17 WeakPolarHBondContact CD-OH 3.5Å; K10-Y17 WeakPolarHBondContact CE-OH 3.3Å; K10-Y17 HydrophobicContact CG-CE2 3.91Å; Y17-V85 HydrophobicContact CD1-CG1 3.83Å; Y17-V85 HydrophobicContact CG-CG1 4.08Å; Y17-I86 WeakPolarHBondContact CA-O 3.15Å; Y17-R87 HydrophobicContact CD1-CB 4.04Å; Y17-R87 HydrophobicContact CD1-CG 4.33Å; Y17-R87 HydrophobicContact CE1-CB 3.82Å; Y17-R87 HydrophobicContact CE1-CG 3.99Å |
| 18 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.3 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | I16 I20 Y58 V72 V74 V85 I86 C88 | I16-V18 HydrophobicContact CD1-CG2 4.11Å; I16-V18 HydrophobicContact CG1-CG2 4.48Å; V18-I20 HydrophobicContact CG1-CD1 4.1Å; V18-Y58 WeakPolarHBondContact CA-O 3.32Å; V18-V72 HydrophobicContact CG1-CB 3.86Å; V18-V72 HydrophobicContact CG1-CG1 4.42Å; V18-V72 HydrophobicContact CG1-CG2 4.31Å; V18-V72 HydrophobicContact CG2-CB 3.99Å; V18-V72 HydrophobicContact CG2-CG1 3.84Å; V18-V72 HydrophobicContact CG2-CG2 4.08Å; V18-V74 HydrophobicContact CB-CG2 4.17Å; V18-V74 HydrophobicContact CG1-CG2 3.96Å; V18-V74 HydrophobicContact CG2-CG2 4.08Å; V18-V85 WeakPolarHBondContact O-CA 3.15Å; V18-I86 HydrophobicContact CB-CG2 3.99Å; V18-I86 PolarHBondContact N-O 2.87Å; V18-I86 PolarHBondContact O-N 2.92Å; V18-C88 HydrophobicContact CG2-CB 4.21Å |
| 19 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118 | 171.6 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | L3 V6 I33 G57 Y58 V85 | L3-V19 HydrophobicContact CD1-CG1 3.99Å; L3-V19 HydrophobicContact CD2-CG1 3.9Å; L3-V19 HydrophobicContact CG-CG1 4.43Å; V6-V19 HydrophobicContact CG1-CG2 4.38Å; V19-I33 HydrophobicContact CG1-CG1 4.36Å; V19-G57 CarbonylContact O-C 3.51Å; V19-G57 WeakPolarHBondContact O-CA 3.35Å; V19-Y58 HydrophobicContact CB-CD1 4.26Å; V19-Y58 HydrophobicContact CB-CE1 3.77Å; V19-Y58 HydrophobicContact CB-CE2 4.31Å; V19-Y58 HydrophobicContact CG1-CE1 3.79Å; V19-Y58 HydrophobicContact CG2-CE2 4.37Å; V19-Y58 PolarHBondContact N-O 2.8Å; V19-Y58 PolarHBondContact O-N 3.44Å; V19-V85 HydrophobicContact CG2-CG2 4.25Å |
| 20 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.6 | -176.6 | -57.1 | -56.3 | 0 | 0 | 0 | 110.6 | V18 N55 V74 L80 G83 S84 I86 | V18-I20 HydrophobicContact CG1-CD1 4.1Å; I20-N55 HydrophobicContact CD1-CB 3.98Å; I20-N55 HydrophobicContact CG2-CB 4.29Å; I20-V74 HydrophobicContact CD1-CG2 4.42Å; I20-L80 HydrophobicContact CD1-CD1 3.95Å; I20-L80 HydrophobicContact CG1-CB 4.16Å; I20-L80 HydrophobicContact CG1-CD1 3.79Å; I20-L80 HydrophobicContact CG2-CB 4.28Å; I20-G83 PolarHBondContact O-N 2.89Å; I20-S84 PolarHBondContact N-O 2.76Å; I20-I86 HydrophobicContact CD1-CG2 3.83Å; I20-I86 HydrophobicContact CG1-CG2 4.2Å |
| 21 | E | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -42.2 | 176 | -57.4 | -173.1 | 131 | 0 | 0 | 110.9 | I33 K35 Y56 Y58 | E21-I33 HydrophobicContact CG-CG1 3.99Å; E21-I33 WeakPolarHBondContact OE1-CB 3.34Å; E21-I33 PolarHBondContact OE1-N 3.4Å; E21-K35 IonicContact OE1-NZ 2.85Å; E21-K35 PolarHBondContact OE1-NZ 2.91Å; E21-K35 VanDerWaalsContact OE1-NZ 3.1Å; E21-Y56 PolarHBondContact N-O 3.24Å; E21-Y58 HydrophobicContact CG-CD1 3.81Å; E21-Y58 HydrophobicContact CG-CE1 3.85Å; E21-Y58 VanDerWaalsContact OE1-CD1 3.28Å; E21-Y58 WeakPolarHBondContact OE1-CD1 3.29Å; E21-Y58 WeakPolarHBondContact OE1-CE1 3.42Å |
| 22 | I | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.3 | -175.5 | -48.3 | 172 | 0 | 0 | 0 | 109.5 | A26 K30 Y52 N55 Y56 | I22-A26 HydrophobicContact CG2-CB 4.37Å; I22-K30 HydrophobicContact CD1-CG 4.21Å; I22-Y52 HydrophobicContact CB-CD2 4.49Å; I22-Y52 HydrophobicContact CD1-CD2 4.09Å; I22-Y52 HydrophobicContact CD1-CE1 4.25Å; I22-Y52 HydrophobicContact CD1-CE2 3.45Å; I22-Y52 VanDerWaalsContact CD1-CE2 3.45Å; I22-Y52 HydrophobicContact CG2-CD2 3.78Å; I22-Y52 HydrophobicContact CG2-CE2 4.21Å; I22-Y52 HydrophobicContact CG2-CG 4.26Å; I22-N55 WeakPolarHBondContact O-CA 3.49Å; I22-Y56 HydrophobicContact CD1-CD1 4.14Å; I22-Y56 PolarHBondContact N-O 3.33Å; I22-Y56 PolarHBondContact O-N 2.82Å |
| 23 | P | 98.5 | Very high | 97.8 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | trans | -67.2 | 149.9 | 175.1 | -20.7 | 34.7 | 0 | 0 | 0 | 112 | N25 A26 P79 L80 P82 | P23-N25 PolarHBondContact O-N 3.39Å; P23-A26 HydrophobicContact CB-CB 4.22Å; P23-A26 HydrophobicContact CG-CB 4.43Å; P23-A26 WeakPolarHBondContact O-CB 3.2Å; P23-A26 PolarHBondContact O-N 3.32Å; P23-P79 HydrophobicContact CB-CB 4.04Å; P23-L80 VanDerWaalsContact CB-O 3.25Å; P23-L80 WeakPolarHBondContact CB-O 3.36Å; P23-L80 VanDerWaalsContact CG-O 3.31Å; P23-L80 WeakPolarHBondContact CG-O 3.35Å; P23-P82 HydrophobicContact CG-CG 3.76Å | ||
| 24 | A | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 136.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A26 N55 P79 | A24-A26 PolarHBondContact O-N 3.21Å; A24-N55 PolarHBondContact N-OD1 2.9Å; A24-P79 HydrophobicContact CB-CB 4.33Å; A24-P79 HydrophobicContact CB-CG 4.3Å; A24-P79 WeakPolarHBondContact O-CB 3.32Å; A24-P79 VanDerWaalsContact O-CG 3.27Å; A24-P79 WeakPolarHBondContact O-CG 3.48Å |
| 25 | N | 97.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 54% | 0.54 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 26.3 | 178 | -48.4 | -59.8 | 0 | 0 | 0 | 114.8 | P23 F51 Y52 | P23-N25 PolarHBondContact O-N 3.39Å; N25-F51 HydrophobicContact CB-CD2 4.31Å; N25-F51 WeakPolarHBondContact OD1-CD2 3.43Å; N25-F51 WeakPolarHBondContact OD1-CE2 3.5Å; N25-Y52 PolarHBondContact N-O 3.21Å |
| 26 | A | 97.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -71.6 | 164.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I22 P23 A24 F51 | I22-A26 HydrophobicContact CG2-CB 4.37Å; P23-A26 HydrophobicContact CB-CB 4.22Å; P23-A26 HydrophobicContact CG-CB 4.43Å; P23-A26 WeakPolarHBondContact O-CB 3.2Å; P23-A26 PolarHBondContact O-N 3.32Å; A24-A26 PolarHBondContact O-N 3.21Å; A26-F51 WeakPolarHBondContact O-CB 3.13Å | ||
| 27 | D | 97.7 | Very high | 96.4 | Very high | 128 Ų | 128 | 44.6 Ų | 44.6 | 68% | 0.684 | 23% | 0.233 | S | C | * | . | trans | -52.6 | 151.7 | 169.1 | -68.6 | -37.1 | 0 | 0 | 0 | 111.2 | I29 | D27-I29 HydrophobicContact CB-CD1 4.27Å; D27-I29 HydrophobicContact CB-CG1 4.34Å; D27-I29 PolarHBondContact O-N 3.38Å | ||
| 28 | P | 96.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 31% | 0.312 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -69.7 | 65 | -174.2 | 29.1 | -37 | 0 | 0 | 0 | 113.3 | M46 M50 | P28-M46 HydrophobicContact CB-CB 4.03Å; P28-M46 HydrophobicContact CB-SD 4.33Å; P28-M46 PolarHBondContact O-N 2.74Å; P28-M50 WeakPolarHBondContact CB-O 3.28Å |
| 29 | I | 97.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120 | -179.4 | -51.8 | 174.9 | 0 | 0 | 0 | 107 | D27 Y31 V42 F45 | D27-I29 HydrophobicContact CB-CD1 4.27Å; D27-I29 HydrophobicContact CB-CG1 4.34Å; D27-I29 PolarHBondContact O-N 3.38Å; I29-Y31 HydrophobicContact CB-CD2 4.26Å; I29-Y31 HydrophobicContact CB-CE2 3.67Å; I29-Y31 HydrophobicContact CD1-CE2 4.44Å; I29-Y31 WeakPolarHBondContact CD1-OH 3.15Å; I29-Y31 HydrophobicContact CG2-CD1 4.38Å; I29-Y31 HydrophobicContact CG2-CD2 4.04Å; I29-Y31 HydrophobicContact CG2-CE1 3.99Å; I29-Y31 HydrophobicContact CG2-CE2 3.6Å; I29-Y31 HydrophobicContact CG2-CG 4.41Å; I29-Y31 PolarHBondContact O-N 3.4Å; I29-V42 HydrophobicContact CG2-CG1 3.97Å; I29-V42 HydrophobicContact CG2-CG2 4.47Å; I29-F45 HydrophobicContact CD1-CD1 4.42Å; I29-F45 HydrophobicContact CD1-CE1 3.96Å; I29-F45 HydrophobicContact CG1-CD1 3.83Å; I29-F45 HydrophobicContact CG1-CE1 3.87Å |
| 30 | K | 96.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.4 | 167.8 | -176.6 | 168.8 | 174.4 | -93.9 | 0 | 108 | I22 E32 D43 R44 | I22-K30 HydrophobicContact CD1-CG 4.21Å; K30-E32 IonicContact NZ-OE2 2.89Å; K30-E32 PolarHBondContact NZ-OE2 3.42Å; K30-D43 HydrophobicContact CB-CB 4.4Å; K30-D43 HydrophobicContact CD-CB 4.49Å; K30-D43 VanDerWaalsContact CD-OD2 3.22Å; K30-D43 WeakPolarHBondContact CD-OD2 3.32Å; K30-D43 WeakPolarHBondContact CE-OD2 3.42Å; K30-D43 HydrophobicContact CG-CB 4.1Å; K30-D43 IonicContact NZ-OD2 2.74Å; K30-D43 PolarHBondContact NZ-OD2 3.1Å; K30-D43 WeakPolarHBondContact O-CB 3.23Å; K30-D43 PolarHBondContact O-N 2.88Å; K30-R44 HydrophobicContact CB-CG 4.04Å; K30-R44 PolarHBondContact N-O 2.7Å; K30-R44 PolarHBondContact O-N 3.31Å |
| 31 | Y | 97.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 153.5 | 168.1 | -64.5 | -83.8 | 0 | 0 | 0 | 109.9 | I29 L40 F41 V42 | I29-Y31 HydrophobicContact CB-CD2 4.26Å; I29-Y31 HydrophobicContact CB-CE2 3.67Å; I29-Y31 HydrophobicContact CD1-CE2 4.44Å; I29-Y31 WeakPolarHBondContact CD1-OH 3.15Å; I29-Y31 HydrophobicContact CG2-CD1 4.38Å; I29-Y31 HydrophobicContact CG2-CD2 4.04Å; I29-Y31 HydrophobicContact CG2-CE1 3.99Å; I29-Y31 HydrophobicContact CG2-CE2 3.6Å; I29-Y31 HydrophobicContact CG2-CG 4.41Å; I29-Y31 PolarHBondContact O-N 3.4Å; Y31-L40 HydrophobicContact CD1-CD2 3.98Å; Y31-L40 HydrophobicContact CD1-CG 4.07Å; Y31-L40 HydrophobicContact CG-CD2 4.3Å; Y31-L40 HydrophobicContact CG-CG 4.39Å; Y31-F41 CarbonylContact C-O 3.6Å; Y31-F41 VanDerWaalsContact CA-O 3.29Å; Y31-F41 WeakPolarHBondContact CA-O 3.4Å; Y31-V42 HydrophobicContact CD1-CG2 4.07Å; Y31-V42 HydrophobicContact CE1-CG2 3.7Å |
| 32 | E | 96.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 57 Ų | 57 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136.9 | 177.3 | -162.7 | 169.3 | 144 | 0 | 0 | 109.6 | K30 D34 F41 D43 | K30-E32 IonicContact NZ-OE2 2.89Å; K30-E32 PolarHBondContact NZ-OE2 3.42Å; E32-D34 PolarHBondContact O-N 3.06Å; E32-F41 PolarHBondContact N-O 2.91Å; E32-F41 PolarHBondContact O-N 3.34Å; E32-D43 HydrophobicContact CB-CB 4.33Å |
| 33 | I | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118 | 170.3 | -63.3 | -68.9 | 0 | 0 | 0 | 107.7 | L3 V19 E21 K35 A39 L40 Y58 | L3-I33 HydrophobicContact CD1-CD1 3.57Å; L3-I33 HydrophobicContact CD1-CG1 4.07Å; L3-I33 HydrophobicContact CD1-CG2 4.2Å; V19-I33 HydrophobicContact CG1-CG1 4.36Å; E21-I33 HydrophobicContact CG-CG1 3.99Å; E21-I33 WeakPolarHBondContact OE1-CB 3.34Å; E21-I33 PolarHBondContact OE1-N 3.4Å; I33-K35 VanDerWaalsContact O-CD 3.24Å; I33-K35 WeakPolarHBondContact O-CD 3.28Å; I33-K35 WeakPolarHBondContact O-CE 3.5Å; I33-K35 PolarHBondContact O-N 2.76Å; I33-K35 PolarHBondContact O-NZ 2.8Å; I33-A39 CarbonylContact C-O 3.57Å; I33-A39 WeakPolarHBondContact CA-O 3.22Å; I33-L40 HydrophobicContact CD1-CB 3.85Å; I33-L40 HydrophobicContact CD1-CD1 3.54Å; I33-L40 HydrophobicContact CD1-CG 4.34Å; I33-L40 HydrophobicContact CG1-CD1 4.1Å; I33-Y58 HydrophobicContact CB-CE1 3.94Å; I33-Y58 HydrophobicContact CG1-CE1 4.03Å; I33-Y58 WeakPolarHBondContact CG2-OH 3.22Å |
| 34 | D | 94 | Very high | 95.5 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | trans | -63.6 | 123.2 | 168.7 | 173.7 | 52.6 | 0 | 0 | 0 | 109.4 | E32 E36 S37 G38 A39 F41 | E32-D34 PolarHBondContact O-N 3.06Å; D34-E36 VanDerWaalsContact C-N 3.27Å; D34-E36 PolarHBondContact O-N 2.93Å; D34-E36 PolarHBondContact OD2-N 3.5Å; D34-S37 WeakPolarHBondContact OD2-CB 3.17Å; D34-S37 PolarHBondContact OD2-N 2.79Å; D34-S37 PolarHBondContact OD2-OG 3.49Å; D34-G38 WeakPolarHBondContact O-CA 3.24Å; D34-G38 PolarHBondContact O-N 2.75Å; D34-A39 PolarHBondContact N-O 3.07Å; D34-F41 HydrophobicContact CB-CD2 3.53Å; D34-F41 HydrophobicContact CB-CE2 3.59Å | ||
| 35 | K | 89.2 | Confident | 95.4 | Very high | 71 Ų | 71 | 69 Ų | 69 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.1 | -170.8 | -47.4 | -54.8 | 173.4 | -152.8 | 0 | 112.3 | L4 E21 I33 Y58 P69 | L4-K35 WeakPolarHBondContact CD2-O 3.41Å; E21-K35 IonicContact OE1-NZ 2.85Å; E21-K35 PolarHBondContact OE1-NZ 2.91Å; E21-K35 VanDerWaalsContact OE1-NZ 3.1Å; I33-K35 VanDerWaalsContact O-CD 3.24Å; I33-K35 WeakPolarHBondContact O-CD 3.28Å; I33-K35 WeakPolarHBondContact O-CE 3.5Å; I33-K35 PolarHBondContact O-N 2.76Å; I33-K35 PolarHBondContact O-NZ 2.8Å; K35-Y58 HydrophobicContact CD-CE2 4.47Å; K35-Y58 VanDerWaalsContact NZ-CE1 3.25Å; K35-P69 HydrophobicContact CD-CG 4.43Å |
| 36 | E | 89.3 | Confident | 95.4 | Very high | 174 Ų | 174 | 64.9 Ų | 64.9 | 81% | 0.813 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -49.6 | 176 | -63.7 | -170.8 | 172.7 | 0 | 0 | 111.8 | D34 | D34-E36 VanDerWaalsContact C-N 3.27Å; D34-E36 PolarHBondContact O-N 2.93Å; D34-E36 PolarHBondContact OD2-N 3.5Å |
| 37 | S | 92.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.9 | -176.7 | 92.6 | 0 | 0 | 0 | 0 | 113.3 | D34 A39 | D34-S37 WeakPolarHBondContact OD2-CB 3.17Å; D34-S37 PolarHBondContact OD2-N 2.79Å; D34-S37 PolarHBondContact OD2-OG 3.49Å; S37-A39 PolarHBondContact O-N 3.35Å; S37-A39 WeakPolarHBondContact OG-CB 3.41Å; S37-A39 PolarHBondContact OG-N 3.09Å; S37-A39 VanDerWaalsContact OG-N 3.12Å |
| 38 | G | 92 | Very high | 95.2 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | trans | 66.6 | 19.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | D34 | D34-G38 WeakPolarHBondContact O-CA 3.24Å; D34-G38 PolarHBondContact O-N 2.75Å | ||
| 39 | A | 94.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 153.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I33 D34 S37 F41 | I33-A39 CarbonylContact C-O 3.57Å; I33-A39 WeakPolarHBondContact CA-O 3.22Å; D34-A39 PolarHBondContact N-O 3.07Å; S37-A39 PolarHBondContact O-N 3.35Å; S37-A39 WeakPolarHBondContact OG-CB 3.41Å; S37-A39 PolarHBondContact OG-N 3.09Å; S37-A39 VanDerWaalsContact OG-N 3.12Å; A39-F41 HydrophobicContact CB-CD2 4.32Å; A39-F41 HydrophobicContact CB-CE2 3.88Å; A39-F41 WeakPolarHBondContact O-CD2 3.36Å |
| 40 | L | 96.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.1 | 175.8 | -169.4 | 76.4 | 0 | 0 | 0 | 109.9 | Y31 I33 P82 | Y31-L40 HydrophobicContact CD1-CD2 3.98Å; Y31-L40 HydrophobicContact CD1-CG 4.07Å; Y31-L40 HydrophobicContact CG-CD2 4.3Å; Y31-L40 HydrophobicContact CG-CG 4.39Å; I33-L40 HydrophobicContact CD1-CB 3.85Å; I33-L40 HydrophobicContact CD1-CD1 3.54Å; I33-L40 HydrophobicContact CD1-CG 4.34Å; I33-L40 HydrophobicContact CG1-CD1 4.1Å; L40-P82 HydrophobicContact CD1-CB 4.4Å; L40-P82 HydrophobicContact CD2-CB 3.46Å; L40-P82 VanDerWaalsContact CD2-CB 3.46Å; L40-P82 HydrophobicContact CD2-CG 4.28Å |
| 41 | F | 97.2 | Very high | 95.1 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 48% | 0.482 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 150.6 | 174.9 | -78.9 | -102.5 | 0 | 0 | 0 | 110.6 | Y31 E32 D34 A39 D43 | Y31-F41 CarbonylContact C-O 3.6Å; Y31-F41 VanDerWaalsContact CA-O 3.29Å; Y31-F41 WeakPolarHBondContact CA-O 3.4Å; E32-F41 PolarHBondContact N-O 2.91Å; E32-F41 PolarHBondContact O-N 3.34Å; D34-F41 HydrophobicContact CB-CD2 3.53Å; D34-F41 HydrophobicContact CB-CE2 3.59Å; A39-F41 HydrophobicContact CB-CD2 4.32Å; A39-F41 HydrophobicContact CB-CE2 3.88Å; A39-F41 WeakPolarHBondContact O-CD2 3.36Å; F41-D43 PolarHBondContact O-N 2.85Å |
| 42 | V | 98.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.7 | 161.3 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | I29 Y31 | I29-V42 HydrophobicContact CG2-CG1 3.97Å; I29-V42 HydrophobicContact CG2-CG2 4.47Å; Y31-V42 HydrophobicContact CD1-CG2 4.07Å; Y31-V42 HydrophobicContact CE1-CG2 3.7Å |
| 43 | D | 95.8 | Very high | 95.2 | Very high | 72 Ų | 72 | 64.3 Ų | 64.3 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -60.7 | 171.1 | 172.4 | 36.9 | 0 | 0 | 0 | 108.9 | K30 E32 F41 | K30-D43 HydrophobicContact CB-CB 4.4Å; K30-D43 HydrophobicContact CD-CB 4.49Å; K30-D43 VanDerWaalsContact CD-OD2 3.22Å; K30-D43 WeakPolarHBondContact CD-OD2 3.32Å; K30-D43 WeakPolarHBondContact CE-OD2 3.42Å; K30-D43 HydrophobicContact CG-CB 4.1Å; K30-D43 IonicContact NZ-OD2 2.74Å; K30-D43 PolarHBondContact NZ-OD2 3.1Å; K30-D43 WeakPolarHBondContact O-CB 3.23Å; K30-D43 PolarHBondContact O-N 2.88Å; E32-D43 HydrophobicContact CB-CB 4.33Å; F41-D43 PolarHBondContact O-N 2.85Å |
| 44 | R | 96.3 | Very high | 95.3 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 25% | 0.253 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 160.1 | 179.3 | 63.3 | -173.1 | -173.1 | -95.1 | 5.2 | 113.4 | K30 E146 | K30-R44 HydrophobicContact CB-CG 4.04Å; K30-R44 PolarHBondContact N-O 2.7Å; K30-R44 PolarHBondContact O-N 3.31Å; R44-E146 IonicContact NE-OE1 3.79Å |
| 45 | F | 96.4 | Very high | 95.6 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.1 | 162.3 | -63.1 | -84.4 | 0 | 0 | 0 | 108.8 | I29 | I29-F45 HydrophobicContact CD1-CD1 4.42Å; I29-F45 HydrophobicContact CD1-CE1 3.96Å; I29-F45 HydrophobicContact CG1-CD1 3.83Å; I29-F45 HydrophobicContact CG1-CE1 3.87Å |
| 46 | M | 95.8 | Very high | 96 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | trans | -71.8 | 136.9 | 175.9 | -58.6 | 163.3 | 61.7 | 0 | 0 | 109 | P28 T48 M50 Y52 F138 Y142 | P28-M46 HydrophobicContact CB-CB 4.03Å; P28-M46 HydrophobicContact CB-SD 4.33Å; P28-M46 PolarHBondContact O-N 2.74Å; M46-T48 VanDerWaalsContact C-N 3.35Å; M46-M50 HydrophobicContact CE-CB 4.5Å; M46-Y52 HydrophobicContact CE-CE2 4.48Å; M46-Y52 HydrophobicContact SD-CD2 4.47Å; M46-Y52 HydrophobicContact SD-CE2 3.93Å; M46-F138 HydrophobicContact CE-CE2 3.65Å; M46-F138 HydrophobicContact CE-CZ 3.6Å; M46-Y142 HydrophobicContact CE-CD2 4.04Å; M46-Y142 HydrophobicContact CE-CG 4.37Å | ||
| 47 | S | 95.9 | Very high | 96.4 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -77.5 | -24 | -177.5 | -65 | 0 | 0 | 0 | 0 | 112.7 | L145 | S47-L145 WeakPolarHBondContact O-CD1 3.47Š|
| 48 | T | 96.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -86.4 | 146.1 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | M46 M50 Y142 D144 L145 | M46-T48 VanDerWaalsContact C-N 3.35Å; T48-M50 HydrophobicContact CG2-SD 4.49Å; T48-M50 PolarHBondContact O-N 2.88Å; T48-Y142 WeakPolarHBondContact CG2-O 3.5Å; T48-Y142 PolarHBondContact OG1-O 2.97Å; T48-D144 HydrophobicContact CG2-CB 4.29Å; T48-L145 HydrophobicContact CG2-CB 4.29Å; T48-L145 HydrophobicContact CG2-CD1 4.17Å; T48-L145 HydrophobicContact CG2-CG 4Å |
| 49 | A | 94.3 | Very high | 97 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 86% | 0.86 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -80.3 | 59.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 50 | M | 96.4 | Very high | 97 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -123.3 | 155.1 | -176.8 | -63.8 | 179.3 | 72.2 | 0 | 0 | 110.5 | P28 M46 T48 F138 H141 | P28-M50 WeakPolarHBondContact CB-O 3.28Å; M46-M50 HydrophobicContact CE-CB 4.5Å; T48-M50 HydrophobicContact CG2-SD 4.49Å; T48-M50 PolarHBondContact O-N 2.88Å; M50-F138 HydrophobicContact CB-CD2 4.32Å; M50-F138 HydrophobicContact CB-CE2 4.25Å; M50-F138 HydrophobicContact CE-CB 4.49Å; M50-F138 HydrophobicContact CE-CD2 4.2Å; M50-H141 HydrophobicContact CE-CB 4.04Å; M50-H141 HydrophobicContact SD-CB 4.02Å | ||
| 51 | F | 97.1 | Very high | 97 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | trans | -132 | 150.4 | -178.8 | 48.5 | -93.9 | 0 | 0 | 0 | 110.2 | N25 A26 P53 F138 | N25-F51 HydrophobicContact CB-CD2 4.31Å; N25-F51 WeakPolarHBondContact OD1-CD2 3.43Å; N25-F51 WeakPolarHBondContact OD1-CE2 3.5Å; A26-F51 WeakPolarHBondContact O-CB 3.13Å; F51-P53 WeakPolarHBondContact O-CD 3.36Å; F51-F138 VanDerWaalsContact C-CE2 3.45Å; F51-F138 WeakPolarHBondContact O-CD2 3.38Å; F51-F138 WeakPolarHBondContact O-CE2 3.4Å | ||
| 52 | Y | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | trans | -65.6 | 123.4 | 177.1 | -76.8 | -101.7 | 0 | 0 | 0 | 109.8 | I22 N25 M46 C54 Y56 F138 F139 | I22-Y52 HydrophobicContact CB-CD2 4.49Å; I22-Y52 HydrophobicContact CD1-CD2 4.09Å; I22-Y52 HydrophobicContact CD1-CE1 4.25Å; I22-Y52 HydrophobicContact CD1-CE2 3.45Å; I22-Y52 VanDerWaalsContact CD1-CE2 3.45Å; I22-Y52 HydrophobicContact CG2-CD2 3.78Å; I22-Y52 HydrophobicContact CG2-CE2 4.21Å; I22-Y52 HydrophobicContact CG2-CG 4.26Å; N25-Y52 PolarHBondContact N-O 3.21Å; M46-Y52 HydrophobicContact CE-CE2 4.48Å; M46-Y52 HydrophobicContact SD-CD2 4.47Å; M46-Y52 HydrophobicContact SD-CE2 3.93Å; Y52-C54 WeakPolarHBondContact CB-O 3.45Å; Y52-C54 PolarHBondContact O-N 3.22Å; Y52-Y56 AromaticContact CD1-CD2 3.94Å; Y52-Y56 HydrophobicContact CD1-CD2 3.94Å; Y52-Y56 AromaticContact CD1-CG 3.92Å; Y52-Y56 HydrophobicContact CD1-CG 3.92Å; Y52-Y56 HydrophobicContact CE1-CD1 4.17Å; Y52-Y56 AromaticContact CE1-CD2 3.58Å; Y52-Y56 HydrophobicContact CE1-CD2 3.58Å; Y52-Y56 HydrophobicContact CE1-CE2 4.08Å; Y52-Y56 AromaticContact CE1-CG 3.6Å; Y52-Y56 HydrophobicContact CE1-CG 3.6Å; Y52-F138 HydrophobicContact CD1-CD1 4.47Å; Y52-F138 AromaticContact CD1-CE1 3.64Å; Y52-F138 HydrophobicContact CD1-CE1 3.64Å; Y52-F138 AromaticContact CD1-CZ 3.79Å; Y52-F138 HydrophobicContact CD1-CZ 3.79Å; Y52-F138 HydrophobicContact CD2-CE1 4.27Å; Y52-F138 HydrophobicContact CD2-CE2 4.18Å; Y52-F138 AromaticContact CD2-CZ 3.55Å; Y52-F138 HydrophobicContact CD2-CZ 3.55Å; Y52-F138 AromaticContact CE1-CE1 3.51Å; Y52-F138 HydrophobicContact CE1-CE1 3.51Å; Y52-F138 AromaticContact CE1-CZ 3.77Å; Y52-F138 HydrophobicContact CE1-CZ 3.77Å; Y52-F138 HydrophobicContact CE2-CE1 4.14Å; Y52-F138 HydrophobicContact CE2-CE2 4.48Å; Y52-F138 AromaticContact CE2-CZ 3.52Å; Y52-F138 HydrophobicContact CE2-CZ 3.52Å; Y52-F138 HydrophobicContact CG-CE1 4.04Å; Y52-F138 HydrophobicContact CG-CE2 4.29Å; Y52-F138 AromaticContact CG-CZ 3.69Å; Y52-F138 HydrophobicContact CG-CZ 3.69Å; Y52-F138 AromaticContact CZ-CE1 3.78Å; Y52-F138 AromaticContact CZ-CZ 3.64Å; Y52-F139 HydrophobicContact CE1-CE1 4.47Å; Y52-F139 HydrophobicContact CE1-CZ 4.37Å | ||
| 53 | P | 97.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -72.7 | -15.7 | -177.9 | 29.1 | -35.8 | 0 | 0 | 0 | 113.3 | F51 Q134 I135 F138 | F51-P53 WeakPolarHBondContact O-CD 3.36Å; P53-Q134 HydrophobicContact CB-CB 4.33Å; P53-I135 HydrophobicContact CG-CB 4.42Å; P53-I135 HydrophobicContact CG-CG1 3.67Å; P53-F138 HydrophobicContact CG-CB 4.49Å |
| 54 | C | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -130.8 | 167.9 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | Y52 L73 | Y52-C54 WeakPolarHBondContact CB-O 3.45Å; Y52-C54 PolarHBondContact O-N 3.22Å; C54-L73 HydrophobicContact CB-CB 4.14Å; C54-L73 HydrophobicContact CB-CD2 4.08Å |
| 55 | N | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 144 | 165.7 | -48.8 | -81.9 | 0 | 0 | 0 | 108.5 | I20 I22 A24 L73 V74 T76 L80 | I20-N55 HydrophobicContact CD1-CB 3.98Å; I20-N55 HydrophobicContact CG2-CB 4.29Å; I22-N55 WeakPolarHBondContact O-CA 3.49Å; A24-N55 PolarHBondContact N-OD1 2.9Å; N55-L73 CarbonylContact O-C 3.55Å; N55-L73 WeakPolarHBondContact O-CA 3.1Å; N55-V74 HydrophobicContact CB-CB 4.48Å; N55-V74 PolarHBondContact N-O 2.76Å; N55-V74 PolarHBondContact ND2-O 3.07Å; N55-V74 PolarHBondContact O-N 2.9Å; N55-T76 PolarHBondContact ND2-OG1 3.04Å; N55-L80 HydrophobicContact CB-CD1 4.42Å; N55-L80 PolarHBondContact OD1-N 2.86Å |
| 56 | Y | 98.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.3 | -179.7 | -174.3 | -91.6 | 0 | 0 | 0 | 109.5 | E21 I22 Y52 D71 L73 K105 F139 | E21-Y56 PolarHBondContact N-O 3.24Å; I22-Y56 HydrophobicContact CD1-CD1 4.14Å; I22-Y56 PolarHBondContact N-O 3.33Å; I22-Y56 PolarHBondContact O-N 2.82Å; Y52-Y56 AromaticContact CD1-CD2 3.94Å; Y52-Y56 HydrophobicContact CD1-CD2 3.94Å; Y52-Y56 AromaticContact CD1-CG 3.92Å; Y52-Y56 HydrophobicContact CD1-CG 3.92Å; Y52-Y56 HydrophobicContact CE1-CD1 4.17Å; Y52-Y56 AromaticContact CE1-CD2 3.58Å; Y52-Y56 HydrophobicContact CE1-CD2 3.58Å; Y52-Y56 HydrophobicContact CE1-CE2 4.08Å; Y52-Y56 AromaticContact CE1-CG 3.6Å; Y52-Y56 HydrophobicContact CE1-CG 3.6Å; Y56-D71 WeakPolarHBondContact CE1-OD1 3.5Å; Y56-D71 HydrophobicContact CE2-CB 4.1Å; Y56-D71 WeakPolarHBondContact OH-CB 3.01Å; Y56-D71 PolarHBondContact OH-OD1 3.23Å; Y56-D71 PolarHBondContact OH-OD2 3.3Å; Y56-D71 VanDerWaalsContact OH-OD2 3.05Å; Y56-L73 HydrophobicContact CD2-CD2 4.46Å; Y56-L73 HydrophobicContact CD2-CG 4.3Å; Y56-K105 HydrophobicContact CE2-CD 4.27Å; Y56-K105 WeakPolarHBondContact OH-CE 3.22Å; Y56-K105 PolarHBondContact OH-NZ 3.49Å; Y56-F139 HydrophobicContact CD2-CZ 4.22Å; Y56-F139 HydrophobicContact CE2-CE1 4.24Å; Y56-F139 AromaticContact CE2-CZ 3.85Å; Y56-F139 HydrophobicContact CE2-CZ 3.85Å |
| 57 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | -165.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V19 D71 V72 | V19-G57 CarbonylContact O-C 3.51Å; V19-G57 WeakPolarHBondContact O-CA 3.35Å; G57-D71 CarbonylContact O-C 3.43Å; G57-D71 WeakPolarHBondContact O-CA 3.43Å; G57-V72 PolarHBondContact N-O 2.78Å; G57-V72 PolarHBondContact O-N 2.67Å |
| 58 | Y | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163.5 | -175 | 67.3 | -84.1 | 0 | 0 | 0 | 112.7 | V18 V19 E21 I33 K35 N60 P69 V70 | V18-Y58 WeakPolarHBondContact CA-O 3.32Å; V19-Y58 HydrophobicContact CB-CD1 4.26Å; V19-Y58 HydrophobicContact CB-CE1 3.77Å; V19-Y58 HydrophobicContact CB-CE2 4.31Å; V19-Y58 HydrophobicContact CG1-CE1 3.79Å; V19-Y58 HydrophobicContact CG2-CE2 4.37Å; V19-Y58 PolarHBondContact N-O 2.8Å; V19-Y58 PolarHBondContact O-N 3.44Å; E21-Y58 HydrophobicContact CG-CD1 3.81Å; E21-Y58 HydrophobicContact CG-CE1 3.85Å; E21-Y58 VanDerWaalsContact OE1-CD1 3.28Å; E21-Y58 WeakPolarHBondContact OE1-CD1 3.29Å; E21-Y58 WeakPolarHBondContact OE1-CE1 3.42Å; I33-Y58 HydrophobicContact CB-CE1 3.94Å; I33-Y58 HydrophobicContact CG1-CE1 4.03Å; I33-Y58 WeakPolarHBondContact CG2-OH 3.22Å; K35-Y58 HydrophobicContact CD-CE2 4.47Å; K35-Y58 VanDerWaalsContact NZ-CE1 3.25Å; Y58-N60 HydrophobicContact CE2-CB 4.34Å; Y58-P69 HydrophobicContact CD2-CB 3.64Å; Y58-P69 HydrophobicContact CD2-CG 4.04Å; Y58-P69 HydrophobicContact CG-CB 4.18Å; Y58-V70 CarbonylContact C-O 3.56Å; Y58-V70 WeakPolarHBondContact CA-O 3.45Å |
| 59 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -94.6 | 118 | 172.3 | -51.4 | 177.5 | 0 | 0 | 0 | 109 | A8 I16 T62 V70 V72 L106 I166 | A8-I59 HydrophobicContact CB-CG2 3.85Å; A8-I59 WeakPolarHBondContact O-CG2 3.15Å; I16-I59 HydrophobicContact CB-CD1 4.3Å; I16-I59 HydrophobicContact CD1-CD1 3.62Å; I16-I59 HydrophobicContact CD1-CG1 4.24Å; I16-I59 HydrophobicContact CG2-CD1 4.27Å; I59-T62 HydrophobicContact CB-CG2 3.9Å; I59-T62 HydrophobicContact CG2-CG2 3.68Å; I59-T62 PolarHBondContact O-OG1 3.25Å; I59-V70 HydrophobicContact CD1-CG1 4.41Å; I59-V70 PolarHBondContact N-O 2.93Å; I59-V72 HydrophobicContact CD1-CG2 3.87Å; I59-V72 HydrophobicContact CG1-CG2 3.49Å; I59-V72 VanDerWaalsContact CG1-CG2 3.49Å; I59-L106 HydrophobicContact CD1-CD1 4Å; I59-I166 HydrophobicContact CD1-CD1 4.22Å; I59-I166 HydrophobicContact CD1-CG1 3.87Å | ||
| 60 | N | 95.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.112 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 155.8 | 177.2 | -162.5 | 20.2 | 0 | 0 | 0 | 111.7 | L3 L4 V6 A8 Y58 T62 | L3-N60 PolarHBondContact O-ND2 3.38Å; L4-N60 PolarHBondContact O-ND2 3.49Å; V6-N60 WeakPolarHBondContact O-CB 3.44Å; V6-N60 PolarHBondContact O-ND2 3.05Å; A8-N60 WeakPolarHBondContact CA-O 3.37Å; A8-N60 WeakPolarHBondContact CB-O 3.2Å; Y58-N60 HydrophobicContact CE2-CB 4.34Å; N60-T62 PolarHBondContact O-N 3.46Å |
| 61 | H | 95.3 | Very high | 96.3 | Very high | 88 Ų | 88 | 30.4 Ų | 30.4 | 41% | 0.407 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 30.6 | -177.8 | -47.3 | -68.2 | 0 | 0 | 0 | 114.5 | V6 A8 F170 A173 | V6-H61 PolarHBondContact O-CD2 3.16Å; V6-H61 PolarHBondContact O-NE2 3.25Å; A8-H61 HydrophobicContact CB-CB 4.49Å; H61-F170 HydrophobicContact CB-CD2 4.49Å; H61-F170 HydrophobicContact CB-CE2 4.19Å; H61-F170 WeakPolarHBondContact O-CD2 3.17Å; H61-A173 VanDerWaalsContact O-CB 3.3Å; H61-A173 WeakPolarHBondContact O-CB 3.48Å |
| 62 | T | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | trans | -120.8 | 158.2 | 170.2 | 65.6 | 0 | 0 | 0 | 0 | 109.9 | I59 N60 P69 V70 F170 | I59-T62 HydrophobicContact CB-CG2 3.9Å; I59-T62 HydrophobicContact CG2-CG2 3.68Å; I59-T62 PolarHBondContact O-OG1 3.25Å; N60-T62 PolarHBondContact O-N 3.46Å; T62-P69 WeakPolarHBondContact O-CA 3.1Å; T62-V70 HydrophobicContact CG2-CG2 4.49Å; T62-V70 PolarHBondContact OG1-N 3.14Å; T62-F170 HydrophobicContact CG2-CB 4.4Å | ||
| 63 | L | 96.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 18% | 0.183 | 14% | 0.14 | C | C | . | . | trans | -141 | 105.2 | 178.6 | -176.2 | 67.7 | 0 | 0 | 0 | 109.2 | G67 S169 R172 A173 K176 | L63-G67 WeakPolarHBondContact CD1-O 3.46Å; L63-S169 PolarHBondContact N-O 3.22Å; L63-S169 WeakPolarHBondContact O-CA 3.41Å; L63-S169 WeakPolarHBondContact O-CB 3.37Å; L63-S169 PolarHBondContact O-OG 3.45Å; L63-R172 HydrophobicContact CB-CB 4.12Å; L63-R172 HydrophobicContact CD2-CB 4.36Å; L63-R172 WeakPolarHBondContact O-CD 3.26Å; L63-A173 HydrophobicContact CB-CB 3.87Å; L63-K176 HydrophobicContact CD2-CB 4.46Å; L63-K176 HydrophobicContact CD2-CD 4.07Å | ||
| 64 | S | 94.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | trans | -74.6 | 173.8 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | D66 G67 D68 | S64-D66 VanDerWaalsContact C-N 3.3Å; S64-D66 WeakPolarHBondContact CB-OD1 3.33Å; S64-D66 PolarHBondContact O-N 2.88Å; S64-D66 PolarHBondContact OG-OD1 3.2Å; S64-G67 PolarHBondContact O-N 3.35Å; S64-D68 VanDerWaalsContact CB-O 3.28Å; S64-D68 WeakPolarHBondContact CB-O 3.35Å; S64-D68 PolarHBondContact N-O 2.9Å | ||
| 65 | L | 92.3 | Very high | 96.5 | Very high | 100 Ų | 100 | 24.1 Ų | 24.1 | 52% | 0.524 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.9 | -177.2 | -66.5 | 179.5 | 0 | 0 | 0 | 113.5 | G67 | L65-G67 PolarHBondContact O-N 2.96Š|
| 66 | D | 90.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 35% | 0.348 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.2 | 172.7 | 56.5 | 10.9 | 0 | 0 | 0 | 113.2 | S64 D68 | S64-D66 VanDerWaalsContact C-N 3.3Å; S64-D66 WeakPolarHBondContact CB-OD1 3.33Å; S64-D66 PolarHBondContact O-N 2.88Å; S64-D66 PolarHBondContact OG-OD1 3.2Å; D66-D68 PolarHBondContact OD1-N 3.43Å |
| 67 | G | 91.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 41% | 0.412 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 94.9 | -2.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L63 S64 L65 | L63-G67 WeakPolarHBondContact CD1-O 3.46Å; S64-G67 PolarHBondContact O-N 3.35Å; L65-G67 PolarHBondContact O-N 2.96Å |
| 68 | D | 93.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 41% | 0.406 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -100.9 | 164.6 | 178.4 | -72.2 | -34.9 | 0 | 0 | 0 | 111.6 | S64 D66 | S64-D68 VanDerWaalsContact CB-O 3.28Å; S64-D68 WeakPolarHBondContact CB-O 3.35Å; S64-D68 PolarHBondContact N-O 2.9Å; D66-D68 PolarHBondContact OD1-N 3.43Å |
| 69 | P | 96.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 153 | 169.2 | -22.2 | 35.3 | 0 | 0 | 0 | 112 | K35 Y58 T62 D71 | K35-P69 HydrophobicContact CD-CG 4.43Å; Y58-P69 HydrophobicContact CD2-CB 3.64Å; Y58-P69 HydrophobicContact CD2-CG 4.04Å; Y58-P69 HydrophobicContact CG-CB 4.18Å; T62-P69 WeakPolarHBondContact O-CA 3.1Å; P69-D71 PolarHBondContact O-N 2.78Å |
| 70 | V | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 123.2 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 111 | Y58 I59 T62 L106 S169 | Y58-V70 CarbonylContact C-O 3.56Å; Y58-V70 WeakPolarHBondContact CA-O 3.45Å; I59-V70 HydrophobicContact CD1-CG1 4.41Å; I59-V70 PolarHBondContact N-O 2.93Å; T62-V70 HydrophobicContact CG2-CG2 4.49Å; T62-V70 PolarHBondContact OG1-N 3.14Å; V70-L106 HydrophobicContact CG1-CD1 3.4Å; V70-L106 VanDerWaalsContact CG1-CD1 3.4Å; V70-L106 HydrophobicContact CG1-CD2 4.48Å; V70-L106 HydrophobicContact CG1-CG 3.56Å; V70-S169 VanDerWaalsContact CG2-OG 3.31Å; V70-S169 WeakPolarHBondContact CG2-OG 3.21Å |
| 71 | D | 98.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 145.9 | 178.1 | -71 | -65.8 | 0 | 0 | 0 | 113.2 | Y56 G57 P69 K105 L106 | Y56-D71 WeakPolarHBondContact CE1-OD1 3.5Å; Y56-D71 HydrophobicContact CE2-CB 4.1Å; Y56-D71 WeakPolarHBondContact OH-CB 3.01Å; Y56-D71 PolarHBondContact OH-OD1 3.23Å; Y56-D71 PolarHBondContact OH-OD2 3.3Å; Y56-D71 VanDerWaalsContact OH-OD2 3.05Å; G57-D71 CarbonylContact O-C 3.43Å; G57-D71 WeakPolarHBondContact O-CA 3.43Å; P69-D71 PolarHBondContact O-N 2.78Å; D71-K105 HydrophobicContact CB-CD 3.45Å; D71-K105 VanDerWaalsContact CB-CD 3.45Å; D71-K105 IonicContact OD2-NZ 3.81Å; D71-K105 PolarHBondContact OD2-NZ 3.5Å; D71-L106 WeakPolarHBondContact O-CB 3.41Å; D71-L106 PolarHBondContact O-N 3.37Å |
| 72 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.2 | -175.6 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | V18 G57 I59 V74 L106 A108 | V18-V72 HydrophobicContact CG1-CB 3.86Å; V18-V72 HydrophobicContact CG1-CG1 4.42Å; V18-V72 HydrophobicContact CG1-CG2 4.31Å; V18-V72 HydrophobicContact CG2-CB 3.99Å; V18-V72 HydrophobicContact CG2-CG1 3.84Å; V18-V72 HydrophobicContact CG2-CG2 4.08Å; G57-V72 PolarHBondContact N-O 2.78Å; G57-V72 PolarHBondContact O-N 2.67Å; I59-V72 HydrophobicContact CD1-CG2 3.87Å; I59-V72 HydrophobicContact CG1-CG2 3.49Å; I59-V72 VanDerWaalsContact CG1-CG2 3.49Å; V72-V74 HydrophobicContact CG1-CG2 4Å; V72-L106 CarbonylContact C-O 3.56Å; V72-L106 WeakPolarHBondContact CA-O 3.31Å; V72-L106 HydrophobicContact CB-CB 4.44Å; V72-L106 HydrophobicContact CG1-CB 4.2Å; V72-L106 HydrophobicContact CG2-CB 4.18Å; V72-L106 HydrophobicContact CG2-CD1 4.34Å; V72-A108 HydrophobicContact CG1-CB 3.59Å |
| 73 | L | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.3 | 164.6 | -63.6 | 121.6 | 0 | 0 | 0 | 109.8 | C54 N55 Y56 K105 L106 I107 A108 I135 F139 | C54-L73 HydrophobicContact CB-CB 4.14Å; C54-L73 HydrophobicContact CB-CD2 4.08Å; N55-L73 CarbonylContact O-C 3.55Å; N55-L73 WeakPolarHBondContact O-CA 3.1Å; Y56-L73 HydrophobicContact CD2-CD2 4.46Å; Y56-L73 HydrophobicContact CD2-CG 4.3Å; L73-K105 HydrophobicContact CD1-CB 3.82Å; L73-L106 PolarHBondContact N-O 3.37Å; L73-I107 HydrophobicContact CB-CG1 4.49Å; L73-I107 WeakPolarHBondContact O-CA 3.35Å; L73-A108 PolarHBondContact O-N 2.9Å; L73-I135 HydrophobicContact CD1-CG2 3.98Å; L73-I135 HydrophobicContact CD2-CG1 4.38Å; L73-I135 HydrophobicContact CD2-CG2 4.12Å; L73-F139 HydrophobicContact CD1-CE2 3.74Å; L73-F139 HydrophobicContact CD1-CZ 4.2Å; L73-F139 HydrophobicContact CD2-CE2 3.83Å; L73-F139 HydrophobicContact CD2-CZ 4.15Å; L73-F139 HydrophobicContact CG-CE2 4.28Å; L73-F139 HydrophobicContact CG-CZ 4.49Å |
| 74 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 96.1 | -179.6 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | V18 I20 N55 V72 T76 I86 A108 | V18-V74 HydrophobicContact CB-CG2 4.17Å; V18-V74 HydrophobicContact CG1-CG2 3.96Å; V18-V74 HydrophobicContact CG2-CG2 4.08Å; I20-V74 HydrophobicContact CD1-CG2 4.42Å; N55-V74 HydrophobicContact CB-CB 4.48Å; N55-V74 PolarHBondContact N-O 2.76Å; N55-V74 PolarHBondContact ND2-O 3.07Å; N55-V74 PolarHBondContact O-N 2.9Å; V72-V74 HydrophobicContact CG1-CG2 4Å; V74-T76 HydrophobicContact CG1-CG2 3.94Å; V74-T76 PolarHBondContact O-N 2.86Å; V74-I86 HydrophobicContact CG1-CD1 4.15Å; V74-I86 HydrophobicContact CG1-CG2 4.22Å; V74-I86 HydrophobicContact CG2-CG2 4.34Å; V74-A108 WeakPolarHBondContact CA-O 3.43Å |
| 75 | P | 98.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | trans | -66.5 | 127.5 | 170.3 | 26.8 | -33 | 0 | 0 | 0 | 110.2 | I107 A108 V109 P110 Y118 L131 | P75-I107 HydrophobicContact CG-CD1 4.33Å; P75-I107 HydrophobicContact CG-CG1 4.48Å; P75-A108 WeakPolarHBondContact CD-O 3.39Å; P75-V109 HydrophobicContact CG-CG1 4.27Å; P75-P110 WeakPolarHBondContact O-CD 3.24Å; P75-Y118 PolarHBondContact O-OH 2.83Å; P75-L131 HydrophobicContact CB-CD2 4.01Å; P75-L131 HydrophobicContact CG-CD2 4.38Å | ||
| 76 | T | 98.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 17% | 0.166 | 27% | 0.267 | C | S | . | . | trans | -136.6 | 162.6 | 177.3 | 55 | 0 | 0 | 0 | 0 | 110 | N55 V74 Y78 L80 I86 P110 Y118 | N55-T76 PolarHBondContact ND2-OG1 3.04Å; V74-T76 HydrophobicContact CG1-CG2 3.94Å; V74-T76 PolarHBondContact O-N 2.86Å; T76-Y78 PolarHBondContact O-N 2.89Å; T76-Y78 PolarHBondContact OG1-O 2.88Å; T76-L80 HydrophobicContact CG2-CD1 4.07Å; T76-L80 HydrophobicContact CG2-CD2 4.43Å; T76-L80 HydrophobicContact CG2-CG 4.31Å; T76-I86 HydrophobicContact CG2-CD1 3.9Å; T76-P110 HydrophobicContact CG2-CG 3.97Å; T76-Y118 VanDerWaalsContact C-OH 3.28Å; T76-Y118 WeakPolarHBondContact CA-OH 3.43Å | ||
| 77 | P | 95.8 | Very high | 97.3 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -66.3 | -23.7 | 178.3 | -22.8 | 36.7 | 0 | 0 | 0 | 113.2 | E117 Y118 | P77-E117 VanDerWaalsContact CG-OE2 3.3Å; P77-E117 WeakPolarHBondContact CG-OE2 3.04Å; P77-Y118 WeakPolarHBondContact CD-OH 2.94Å; P77-Y118 HydrophobicContact CG-CE2 4.34Å |
| 78 | Y | 97.6 | Very high | 97.7 | Very high | 183 Ų | 183 | 43.3 Ų | 43.3 | 72% | 0.718 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -139.9 | 147.9 | 179.4 | -55 | -76.2 | 0 | 0 | 0 | 110.8 | T76 | T76-Y78 PolarHBondContact O-N 2.89Å; T76-Y78 PolarHBondContact OG1-O 2.88Å |
| 79 | P | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 140.3 | 172.2 | -23.5 | 33.6 | 0 | 0 | 0 | 112.1 | P23 A24 | P23-P79 HydrophobicContact CB-CB 4.04Å; A24-P79 HydrophobicContact CB-CB 4.33Å; A24-P79 HydrophobicContact CB-CG 4.3Å; A24-P79 WeakPolarHBondContact O-CB 3.32Å; A24-P79 VanDerWaalsContact O-CG 3.27Å; A24-P79 WeakPolarHBondContact O-CG 3.48Å |
| 80 | L | 98.5 | Very high | 98.1 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 162.5 | 178.3 | -58.5 | 179.2 | 0 | 0 | 0 | 110.9 | I20 P23 N55 T76 I86 | I20-L80 HydrophobicContact CD1-CD1 3.95Å; I20-L80 HydrophobicContact CG1-CB 4.16Å; I20-L80 HydrophobicContact CG1-CD1 3.79Å; I20-L80 HydrophobicContact CG2-CB 4.28Å; P23-L80 VanDerWaalsContact CB-O 3.25Å; P23-L80 WeakPolarHBondContact CB-O 3.36Å; P23-L80 VanDerWaalsContact CG-O 3.31Å; P23-L80 WeakPolarHBondContact CG-O 3.35Å; N55-L80 HydrophobicContact CB-CD1 4.42Å; N55-L80 PolarHBondContact OD1-N 2.86Å; T76-L80 HydrophobicContact CG2-CD1 4.07Å; T76-L80 HydrophobicContact CG2-CD2 4.43Å; T76-L80 HydrophobicContact CG2-CG 4.31Å; L80-I86 HydrophobicContact CD1-CB 4.11Å; L80-I86 HydrophobicContact CD1-CD1 3.69Å; L80-I86 HydrophobicContact CD1-CG2 4Å |
| 81 | Q | 97.6 | Very high | 98.1 | Very high | 153 Ų | 153 | 41.1 Ų | 41.1 | 72% | 0.715 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -81.1 | 140.4 | 177.7 | -68 | -179.5 | -19.3 | 0 | 0 | 111.1 | G83 S84 | Q81-G83 PolarHBondContact O-N 2.81Å; Q81-S84 VanDerWaalsContact O-CB 3.23Å; Q81-S84 WeakPolarHBondContact O-CB 3.37Å; Q81-S84 PolarHBondContact O-N 3.42Å; Q81-S84 VanDerWaalsContact O-N 3.07Å; Q81-S84 PolarHBondContact O-OG 3.21Å |
| 82 | P | 97.2 | Very high | 98.1 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.6 | 169.5 | -23.2 | 34.3 | 0 | 0 | 0 | 111.5 | P23 L40 S84 | P23-P82 HydrophobicContact CG-CG 3.76Å; L40-P82 HydrophobicContact CD1-CB 4.4Å; L40-P82 HydrophobicContact CD2-CB 3.46Å; L40-P82 VanDerWaalsContact CD2-CB 3.46Å; L40-P82 HydrophobicContact CD2-CG 4.28Å; P82-S84 PolarHBondContact O-N 2.86Å |
| 83 | G | 96.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 3.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I20 Q81 | I20-G83 PolarHBondContact O-N 2.89Å; Q81-G83 PolarHBondContact O-N 2.81Å |
| 84 | S | 97.3 | Very high | 98.1 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | trans | -77.8 | 154.4 | 167.8 | 69.8 | 0 | 0 | 0 | 0 | 111 | I20 Q81 P82 | I20-S84 PolarHBondContact N-O 2.76Å; Q81-S84 VanDerWaalsContact O-CB 3.23Å; Q81-S84 WeakPolarHBondContact O-CB 3.37Å; Q81-S84 PolarHBondContact O-N 3.42Å; Q81-S84 VanDerWaalsContact O-N 3.07Å; Q81-S84 PolarHBondContact O-OG 3.21Å; P82-S84 PolarHBondContact O-N 2.86Å | ||
| 85 | V | 98 | Very high | 98.1 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.4 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L3 V6 Y17 V18 V19 | L3-V85 HydrophobicContact CD2-CG2 4.03Å; V6-V85 HydrophobicContact CG1-CG1 3.77Å; V6-V85 HydrophobicContact CG1-CG2 4.14Å; V6-V85 HydrophobicContact CG2-CG2 3.89Å; Y17-V85 HydrophobicContact CD1-CG1 3.83Å; Y17-V85 HydrophobicContact CG-CG1 4.08Å; V18-V85 WeakPolarHBondContact O-CA 3.15Å; V19-V85 HydrophobicContact CG2-CG2 4.25Å |
| 86 | I | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.9 | 177 | -173.4 | 164.4 | 0 | 0 | 0 | 110.6 | Y17 V18 I20 V74 T76 L80 P110 L114 | Y17-I86 WeakPolarHBondContact CA-O 3.15Å; V18-I86 HydrophobicContact CB-CG2 3.99Å; V18-I86 PolarHBondContact N-O 2.87Å; V18-I86 PolarHBondContact O-N 2.92Å; I20-I86 HydrophobicContact CD1-CG2 3.83Å; I20-I86 HydrophobicContact CG1-CG2 4.2Å; V74-I86 HydrophobicContact CG1-CD1 4.15Å; V74-I86 HydrophobicContact CG1-CG2 4.22Å; V74-I86 HydrophobicContact CG2-CG2 4.34Å; T76-I86 HydrophobicContact CG2-CD1 3.9Å; L80-I86 HydrophobicContact CD1-CB 4.11Å; L80-I86 HydrophobicContact CD1-CD1 3.69Å; L80-I86 HydrophobicContact CD1-CG2 4Å; I86-P110 HydrophobicContact CD1-CG 4.18Å; I86-L114 HydrophobicContact CD1-CD1 4.48Å; I86-L114 HydrophobicContact CG1-CD1 3.84Å |
| 87 | R | 98.5 | Very high | 97.9 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.3 | 175.2 | -170.5 | -171.9 | 178.2 | -172.3 | -5.9 | 109.4 | D15 I16 Y17 H111 L114 | D15-R87 WeakPolarHBondContact OD1-CD 3.44Å; D15-R87 WeakPolarHBondContact OD1-CG 3.36Å; D15-R87 IonicContact OD1-CZ 3.2Å; D15-R87 IonicContact OD1-NE 3.03Å; D15-R87 PolarHBondContact OD1-NE 2.64Å; D15-R87 IonicContact OD1-NH2 2.62Å; D15-R87 IonicContact OD2-CZ 3.28Å; D15-R87 IonicContact OD2-NE 3.68Å; D15-R87 PolarHBondContact OD2-NE 2.74Å; D15-R87 IonicContact OD2-NH2 2.73Å; D15-R87 PolarHBondContact OD2-NH2 2.76Å; I16-R87 CarbonylContact O-C 3.59Å; I16-R87 WeakPolarHBondContact O-CA 3.3Å; Y17-R87 HydrophobicContact CD1-CB 4.04Å; Y17-R87 HydrophobicContact CD1-CG 4.33Å; Y17-R87 HydrophobicContact CE1-CB 3.82Å; Y17-R87 HydrophobicContact CE1-CG 3.99Å; R87-H111 HydrophobicContact CB-CB 4.2Å; R87-H111 HydrophobicContact CG-CB 3.78Å; R87-H111 VanDerWaalsContact CZ-CE1 3.48Å; R87-H111 PolarHBondContact NE-CD2 3.49Å; R87-H111 PolarHBondContact NH2-CE1 3.28Å; R87-H111 PolarHBondContact NH2-NE2 3.2Å; R87-H111 WeakPolarHBondContact O-CB 3.37Å; R87-H111 PolarHBondContact O-N 3.05Å; R87-L114 HydrophobicContact CB-CD1 3.98Å; R87-L114 WeakPolarHBondContact O-CD1 3.19Å |
| 88 | C | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 167.8 | -171.6 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | I16 V18 A108 V109 | I16-C88 HydrophobicContact CD1-CB 4.39Å; I16-C88 HydrophobicContact CG1-CB 4Å; I16-C88 PolarHBondContact N-O 2.62Å; I16-C88 PolarHBondContact O-N 2.73Å; V18-C88 HydrophobicContact CG2-CB 4.21Å; C88-A108 HydrophobicContact CB-CB 3.68Å; C88-V109 CarbonylContact C-O 3.57Å; C88-V109 WeakPolarHBondContact CA-O 3.31Å; C88-V109 WeakPolarHBondContact CB-O 3.25Å |
| 89 | R | 98.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 18% | 0.177 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.6 | 166.7 | -60.4 | 178.1 | -64.2 | 107 | -4.1 | 108.1 | A108 V109 Y118 I121 | R89-A108 CarbonylContact O-C 3.51Å; R89-A108 WeakPolarHBondContact O-CA 3.44Å; R89-A108 WeakPolarHBondContact O-CB 3.44Å; R89-V109 PolarHBondContact N-O 2.69Å; R89-V109 VanDerWaalsContact NH2-CG2 3.33Å; R89-V109 PolarHBondContact O-N 2.95Å; R89-Y118 PolarHBondContact NH2-O 3.44Å; R89-I121 PolarHBondContact NH1-O 2.88Å; R89-I121 VanDerWaalsContact NH1-O 3.14Å; R89-I121 PolarHBondContact NH2-O 2.78Å; R89-I121 VanDerWaalsContact NH2-O 3.14Å |
| 90 | P | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 141.7 | 175.9 | 30.5 | -35.8 | 0 | 0 | 0 | 110.6 | P13 A162 K163 I166 | P13-P90 WeakPolarHBondContact O-CD 3.45Å; P13-P90 WeakPolarHBondContact O-CG 3.23Å; P90-A162 HydrophobicContact CB-CB 4.08Å; P90-K163 HydrophobicContact CG-CG 3.88Å; P90-I166 HydrophobicContact CB-CD1 3.74Å; P90-I166 HydrophobicContact CG-CD1 3.73Å |
| 91 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | -13.3 | 178.3 | -59 | 0 | 0 | 0 | 0 | 113.2 | I107 V109 I121 D123 V124 L127 A159 | V91-I107 HydrophobicContact CG2-CG1 4.43Å; V91-I107 HydrophobicContact CG2-CG2 3.96Å; V91-I107 WeakPolarHBondContact CG2-O 3.23Å; V91-I107 PolarHBondContact N-O 2.89Å; V91-V109 HydrophobicContact CG1-CG1 4.31Å; V91-V109 HydrophobicContact CG1-CG2 3.82Å; V91-V109 HydrophobicContact CG2-CG1 4.14Å; V91-I121 HydrophobicContact CB-CG2 4.39Å; V91-I121 HydrophobicContact CG1-CG2 4.15Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; V91-D123 CarbonylContact O-C 3.29Å; V91-D123 VanDerWaalsContact O-C 3.29Å; V91-D123 WeakPolarHBondContact O-CA 2.97Å; V91-V124 PolarHBondContact O-N 3.4Å; V91-L127 HydrophobicContact CG2-CD1 4.15Å; V91-L127 HydrophobicContact CG2-CG 4.42Å; V91-A159 WeakPolarHBondContact O-CA 3.34Å; V91-A159 PolarHBondContact O-N 3.42Å; V91-A159 VanDerWaalsContact O-N 3.17Å |
| 92 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 174.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | I107 E157 A162 | G92-I107 PolarHBondContact N-O 2.64Å; G92-I107 PolarHBondContact O-N 2.89Å; G92-E157 VanDerWaalsContact CA-O 3.29Å; G92-E157 WeakPolarHBondContact CA-O 3.21Å; G92-A162 WeakPolarHBondContact O-CB 3.4Å |
| 93 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133 | 174.8 | 57 | 0 | 0 | 0 | 0 | 109.7 | K95 A104 L106 W156 E157 A161 A162 | V93-K95 HydrophobicContact CG2-CD 4.28Å; V93-A104 HydrophobicContact CG2-CB 3.88Å; V93-L106 HydrophobicContact CB-CD2 3.68Å; V93-L106 HydrophobicContact CG2-CD2 3.71Å; V93-W156 WeakPolarHBondContact O-CA 3.37Å; V93-E157 HydrophobicContact CG1-CB 3.7Å; V93-E157 HydrophobicContact CG1-CG 4.48Å; V93-E157 PolarHBondContact N-O 2.83Å; V93-E157 PolarHBondContact O-N 2.91Å; V93-A161 HydrophobicContact CG1-CB 3.86Å; V93-A162 HydrophobicContact CB-CB 4.26Å |
| 94 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117 | 169 | -175.1 | 70.3 | 0 | 0 | 0 | 107.8 | M96 K105 I135 A136 F139 V153 W156 | L94-M96 HydrophobicContact CD2-SD 4.45Å; L94-K105 HydrophobicContact CB-CB 4.42Å; L94-K105 PolarHBondContact N-O 3.21Å; L94-K105 PolarHBondContact O-N 2.99Å; L94-I135 HydrophobicContact CD2-CG2 4.14Å; L94-A136 HydrophobicContact CD1-CB 4.49Å; L94-F139 HydrophobicContact CD2-CB 4.36Å; L94-F139 HydrophobicContact CD2-CD2 3.74Å; L94-F139 HydrophobicContact CD2-CE2 4.49Å; L94-F139 HydrophobicContact CD2-CG 4.35Å; L94-V153 HydrophobicContact CD1-CG1 3.62Å; L94-V153 HydrophobicContact CD2-CG2 4.45Å; L94-V153 HydrophobicContact CG-CG1 4.35Å; L94-W156 HydrophobicContact CB-CD2 4.46Å; L94-W156 HydrophobicContact CB-CE3 4.04Å; L94-W156 HydrophobicContact CB-CH2 4.05Å; L94-W156 HydrophobicContact CB-CZ2 4.43Å; L94-W156 HydrophobicContact CB-CZ3 3.82Å; L94-W156 HydrophobicContact CD1-CD2 3.93Å; L94-W156 HydrophobicContact CD1-CE3 4.36Å; L94-W156 HydrophobicContact CD1-CG 4.29Å; L94-W156 HydrophobicContact CD1-CZ2 4.06Å |
| 95 | K | 98 | Very high | 96.9 | Very high | 43 Ų | 43 | 28.9 Ų | 28.9 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.8 | 173 | -63.4 | -62.8 | -172.7 | 176.4 | 0 | 109.2 | V93 A104 E154 G155 E157 E165 | V93-K95 HydrophobicContact CG2-CD 4.28Å; K95-A104 HydrophobicContact CD-CB 4.4Å; K95-E154 HydrophobicContact CB-CB 4.13Å; K95-E154 WeakPolarHBondContact O-CB 3.16Å; K95-E154 PolarHBondContact O-N 3.33Å; K95-G155 PolarHBondContact N-O 3.05Å; K95-G155 PolarHBondContact O-N 3.31Å; K95-E157 WeakPolarHBondContact CE-OE2 3.3Å; K95-E157 HydrophobicContact CG-CG 3.93Å; K95-E157 IonicContact NZ-OE2 2.86Å; K95-E165 IonicContact NZ-OE2 3.97Å |
| 96 | M | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.8 | 175.1 | 60.6 | -172.1 | -163.1 | 0 | 0 | 110.8 | L94 D103 K105 F139 V151 K152 V153 | L94-M96 HydrophobicContact CD2-SD 4.45Å; M96-D103 CarbonylContact C-O 3.47Å; M96-D103 HydrophobicContact CE-CB 3.9Å; M96-D103 WeakPolarHBondContact CE-OD2 3.38Å; M96-D103 HydrophobicContact CG-CB 4.1Å; M96-D103 WeakPolarHBondContact CG-O 3.11Å; M96-D103 PolarHBondContact N-O 3.33Å; M96-D103 PolarHBondContact O-N 3.48Å; M96-K105 HydrophobicContact CE-CD 4.03Å; M96-K105 VanDerWaalsContact CE-CE 3.42Å; M96-K105 HydrophobicContact CE-CG 3.55Å; M96-K105 HydrophobicContact SD-CG 4.32Å; M96-F139 HydrophobicContact CE-CD1 3.94Å; M96-F139 HydrophobicContact CE-CE1 4.47Å; M96-F139 HydrophobicContact CE-CG 4.32Å; M96-F139 HydrophobicContact SD-CB 3.72Å; M96-F139 HydrophobicContact SD-CD1 4.17Å; M96-F139 HydrophobicContact SD-CG 3.98Å; M96-V151 HydrophobicContact CB-CG1 4.17Å; M96-V151 HydrophobicContact CG-CG1 4.33Å; M96-V151 HydrophobicContact SD-CG1 3.79Å; M96-K152 CarbonylContact C-O 3.59Å; M96-K152 VanDerWaalsContact CA-O 3.24Å; M96-K152 WeakPolarHBondContact CA-O 3.46Å; M96-K152 WeakPolarHBondContact CB-O 3.47Å; M96-V153 HydrophobicContact CB-CG2 4.46Å |
| 97 | T | 96.7 | Very high | 97 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140 | 173.2 | -63.9 | 0 | 0 | 0 | 0 | 108 | G101 W150 K152 E154 | T97-G101 CarbonylContact C-O 3.53Å; T97-G101 WeakPolarHBondContact CA-O 3.37Å; T97-G101 WeakPolarHBondContact CG2-O 3.31Å; T97-W150 HydrophobicContact CG2-CH2 3.91Å; T97-W150 HydrophobicContact CG2-CZ3 4.15Å; T97-W150 VanDerWaalsContact O-CZ3 3.31Å; T97-W150 WeakPolarHBondContact O-CZ3 3.37Å; T97-K152 PolarHBondContact N-O 2.99Å; T97-K152 PolarHBondContact O-N 3.49Å; T97-E154 PolarHBondContact OG1-OE1 3.37Å |
| 98 | D | 95.5 | Very high | 97 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | -171.5 | 174.8 | 84.6 | -2.2 | 0 | 0 | 0 | 112 | A100 G101 K143 W150 V151 | D98-A100 PolarHBondContact O-N 3.47Å; D98-A100 VanDerWaalsContact O-N 3.14Å; D98-A100 WeakPolarHBondContact OD1-CA 3.33Å; D98-A100 WeakPolarHBondContact OD1-CB 3.38Å; D98-A100 PolarHBondContact OD1-N 3.38Å; D98-G101 PolarHBondContact N-O 3.09Å; D98-G101 PolarHBondContact O-N 3.04Å; D98-G101 PolarHBondContact OD1-N 3.3Å; D98-K143 IonicContact OD2-NZ 2.67Å; D98-K143 PolarHBondContact OD2-NZ 3.48Å; D98-W150 VanDerWaalsContact C-CH2 3.47Å; D98-W150 WeakPolarHBondContact CA-O 3.38Å; D98-W150 VanDerWaalsContact CB-O 3.3Å; D98-W150 WeakPolarHBondContact CB-O 3.5Å; D98-W150 WeakPolarHBondContact O-CH2 3.39Å; D98-W150 WeakPolarHBondContact O-CZ2 3.35Å; D98-V151 HydrophobicContact CB-CG2 4.02Å |
| 99 | E | 93.7 | Very high | 97 | Very high | 58 Ų | 58 | 23.5 Ų | 23.5 | 27% | 0.271 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.9 | -179.3 | 74.8 | -75.8 | 171.3 | 0 | 0 | 115.2 | K143 K149 W150 | E99-K143 IonicContact OE1-NZ 3.65Å; E99-K143 PolarHBondContact OE1-NZ 3.11Å; E99-K143 IonicContact OE2-NZ 3.25Å; E99-K143 PolarHBondContact OE2-NZ 3.2Å; E99-K149 HydrophobicContact CG-CD 3.94Å; E99-K149 WeakPolarHBondContact OE1-CD 3.21Å; E99-K149 WeakPolarHBondContact OE1-CE 3.17Å; E99-K149 IonicContact OE1-NZ 3.1Å; E99-K149 PolarHBondContact OE1-NZ 3.29Å; E99-W150 PolarHBondContact OE2-N 3.24Å |
| 100 | A | 91.7 | Very high | 97 | Very high | 91 Ų | 91 | 21.5 Ų | 21.5 | 75% | 0.752 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -18.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | D98 | D98-A100 PolarHBondContact O-N 3.47Å; D98-A100 VanDerWaalsContact O-N 3.14Å; D98-A100 WeakPolarHBondContact OD1-CA 3.33Å; D98-A100 WeakPolarHBondContact OD1-CB 3.38Å; D98-A100 PolarHBondContact OD1-N 3.38Å |
| 101 | G | 93.4 | Very high | 97 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 31% | 0.309 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 144 | -152.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T97 D98 | T97-G101 CarbonylContact C-O 3.53Å; T97-G101 WeakPolarHBondContact CA-O 3.37Å; T97-G101 WeakPolarHBondContact CG2-O 3.31Å; D98-G101 PolarHBondContact N-O 3.09Å; D98-G101 PolarHBondContact O-N 3.04Å; D98-G101 PolarHBondContact OD1-N 3.3Å |
| 102 | E | 94.1 | Very high | 96.9 | Very high | 138 Ų | 138 | 24.9 Ų | 24.9 | 65% | 0.645 | 15% | 0.148 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.3 | 174.2 | -67.4 | 179.1 | -164.3 | 0 | 0 | 110.3 | ||
| 103 | D | 94.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 127.1 | 177.6 | -174.9 | -2.2 | 0 | 0 | 0 | 109.6 | M96 K105 | M96-D103 CarbonylContact C-O 3.47Å; M96-D103 HydrophobicContact CE-CB 3.9Å; M96-D103 WeakPolarHBondContact CE-OD2 3.38Å; M96-D103 HydrophobicContact CG-CB 4.1Å; M96-D103 WeakPolarHBondContact CG-O 3.11Å; M96-D103 PolarHBondContact N-O 3.33Å; M96-D103 PolarHBondContact O-N 3.48Å; D103-K105 WeakPolarHBondContact OD1-CE 3.46Å; D103-K105 IonicContact OD1-NZ 2.76Å; D103-K105 PolarHBondContact OD1-NZ 3.45Å; D103-K105 WeakPolarHBondContact OD2-CE 3.23Å; D103-K105 IonicContact OD2-NZ 2.64Å; D103-K105 PolarHBondContact OD2-NZ 3.15Å |
| 104 | A | 95.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.2 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | V93 K95 | V93-A104 HydrophobicContact CG2-CB 3.88Å; K95-A104 HydrophobicContact CD-CB 4.4Å |
| 105 | K | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.5 | 176 | -53.5 | -55.3 | -173.7 | -146.8 | 0 | 110 | Y56 D71 L73 L94 M96 D103 F139 | Y56-K105 HydrophobicContact CE2-CD 4.27Å; Y56-K105 WeakPolarHBondContact OH-CE 3.22Å; Y56-K105 PolarHBondContact OH-NZ 3.49Å; D71-K105 HydrophobicContact CB-CD 3.45Å; D71-K105 VanDerWaalsContact CB-CD 3.45Å; D71-K105 IonicContact OD2-NZ 3.81Å; D71-K105 PolarHBondContact OD2-NZ 3.5Å; L73-K105 HydrophobicContact CD1-CB 3.82Å; L94-K105 HydrophobicContact CB-CB 4.42Å; L94-K105 PolarHBondContact N-O 3.21Å; L94-K105 PolarHBondContact O-N 2.99Å; M96-K105 HydrophobicContact CE-CD 4.03Å; M96-K105 VanDerWaalsContact CE-CE 3.42Å; M96-K105 HydrophobicContact CE-CG 3.55Å; M96-K105 HydrophobicContact SD-CG 4.32Å; D103-K105 WeakPolarHBondContact OD1-CE 3.46Å; D103-K105 IonicContact OD1-NZ 2.76Å; D103-K105 PolarHBondContact OD1-NZ 3.45Å; D103-K105 WeakPolarHBondContact OD2-CE 3.23Å; D103-K105 IonicContact OD2-NZ 2.64Å; D103-K105 PolarHBondContact OD2-NZ 3.15Å; K105-F139 HydrophobicContact CB-CE2 4.48Å; K105-F139 HydrophobicContact CB-CZ 4.49Å; K105-F139 HydrophobicContact CG-CE1 4.12Å; K105-F139 HydrophobicContact CG-CE2 4.27Å; K105-F139 HydrophobicContact CG-CZ 3.97Å |
| 106 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 153.7 | 176 | -59.3 | -171.9 | 0 | 0 | 0 | 110.9 | I59 V70 D71 V72 L73 V93 A162 E165 I166 | I59-L106 HydrophobicContact CD1-CD1 4Å; V70-L106 HydrophobicContact CG1-CD1 3.4Å; V70-L106 VanDerWaalsContact CG1-CD1 3.4Å; V70-L106 HydrophobicContact CG1-CD2 4.48Å; V70-L106 HydrophobicContact CG1-CG 3.56Å; D71-L106 WeakPolarHBondContact O-CB 3.41Å; D71-L106 PolarHBondContact O-N 3.37Å; V72-L106 CarbonylContact C-O 3.56Å; V72-L106 WeakPolarHBondContact CA-O 3.31Å; V72-L106 HydrophobicContact CB-CB 4.44Å; V72-L106 HydrophobicContact CG1-CB 4.2Å; V72-L106 HydrophobicContact CG2-CB 4.18Å; V72-L106 HydrophobicContact CG2-CD1 4.34Å; L73-L106 PolarHBondContact N-O 3.37Å; V93-L106 HydrophobicContact CB-CD2 3.68Å; V93-L106 HydrophobicContact CG2-CD2 3.71Å; L106-A162 HydrophobicContact CD2-CB 3.95Å; L106-E165 HydrophobicContact CD2-CB 4.22Å; L106-E165 HydrophobicContact CD2-CG 4.36Å; L106-I166 HydrophobicContact CD1-CD1 3.73Å; L106-I166 HydrophobicContact CD1-CG1 3.39Å |
| 107 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.6 | 161.1 | -175.2 | 152.3 | 0 | 0 | 0 | 109.4 | L73 P75 V91 G92 L127 I135 W156 | L73-I107 HydrophobicContact CB-CG1 4.49Å; L73-I107 WeakPolarHBondContact O-CA 3.35Å; P75-I107 HydrophobicContact CG-CD1 4.33Å; P75-I107 HydrophobicContact CG-CG1 4.48Å; V91-I107 HydrophobicContact CG2-CG1 4.43Å; V91-I107 HydrophobicContact CG2-CG2 3.96Å; V91-I107 WeakPolarHBondContact CG2-O 3.23Å; V91-I107 PolarHBondContact N-O 2.89Å; G92-I107 PolarHBondContact N-O 2.64Å; G92-I107 PolarHBondContact O-N 2.89Å; I107-L127 HydrophobicContact CD1-CD1 3.57Å; I107-L127 HydrophobicContact CD1-CD2 4.33Å; I107-L127 HydrophobicContact CG1-CD1 4.03Å; I107-L127 HydrophobicContact CG2-CD1 3.88Å; I107-I135 HydrophobicContact CD1-CD1 3.58Å; I107-W156 HydrophobicContact CB-CH2 4.31Å; I107-W156 HydrophobicContact CB-CZ3 4.05Å; I107-W156 HydrophobicContact CD1-CH2 4.3Å; I107-W156 HydrophobicContact CG2-CE3 4.31Å; I107-W156 HydrophobicContact CG2-CH2 4.13Å; I107-W156 HydrophobicContact CG2-CZ3 3.48Å; I107-W156 VanDerWaalsContact CG2-CZ3 3.48Å |
| 108 | A | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I16 V72 L73 V74 P75 C88 R89 | I16-A108 HydrophobicContact CD1-CB 4Å; V72-A108 HydrophobicContact CG1-CB 3.59Å; L73-A108 PolarHBondContact O-N 2.9Å; V74-A108 WeakPolarHBondContact CA-O 3.43Å; P75-A108 WeakPolarHBondContact CD-O 3.39Å; C88-A108 HydrophobicContact CB-CB 3.68Å; R89-A108 CarbonylContact O-C 3.51Å; R89-A108 WeakPolarHBondContact O-CA 3.44Å; R89-A108 WeakPolarHBondContact O-CB 3.44Å |
| 109 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 155.1 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 111 | P75 C88 R89 V91 H111 Y118 I121 L127 | P75-V109 HydrophobicContact CG-CG1 4.27Å; C88-V109 CarbonylContact C-O 3.57Å; C88-V109 WeakPolarHBondContact CA-O 3.31Å; C88-V109 WeakPolarHBondContact CB-O 3.25Å; R89-V109 PolarHBondContact N-O 2.69Å; R89-V109 VanDerWaalsContact NH2-CG2 3.33Å; R89-V109 PolarHBondContact O-N 2.95Å; V91-V109 HydrophobicContact CG1-CG1 4.31Å; V91-V109 HydrophobicContact CG1-CG2 3.82Å; V91-V109 HydrophobicContact CG2-CG1 4.14Å; V109-H111 PolarHBondContact O-N 3.04Å; V109-Y118 HydrophobicContact CB-CD1 3.74Å; V109-Y118 HydrophobicContact CB-CG 4Å; V109-Y118 HydrophobicContact CG1-CD1 3.81Å; V109-I121 HydrophobicContact CG1-CB 4.33Å; V109-I121 HydrophobicContact CG1-CD1 4.47Å; V109-I121 HydrophobicContact CG1-CG2 3.91Å; V109-L127 HydrophobicContact CG1-CD2 4.39Å |
| 110 | P | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 136 | 174.9 | -30.2 | 36.4 | 0 | 0 | 0 | 113 | P75 T76 I86 Y118 | P75-P110 WeakPolarHBondContact O-CD 3.24Å; T76-P110 HydrophobicContact CG2-CG 3.97Å; I86-P110 HydrophobicContact CD1-CG 4.18Å; P110-Y118 HydrophobicContact CB-CD2 4.05Å; P110-Y118 HydrophobicContact CB-CE2 4.41Å; P110-Y118 HydrophobicContact CG-CD2 3.83Å; P110-Y118 HydrophobicContact CG-CE2 3.78Å; P110-Y118 HydrophobicContact CG-CG 4.37Å |
| 111 | H | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 144.3 | 175.1 | 178.7 | -75.1 | 0 | 0 | 0 | 110.4 | D15 R87 V109 K113 L114 S115 | D15-H111 IonicContact OD1-CD2 3.1Å; D15-H111 IonicContact OD2-CD2 3.96Å; D15-H111 IonicContact OD2-NE2 2.78Å; R87-H111 HydrophobicContact CB-CB 4.2Å; R87-H111 HydrophobicContact CG-CB 3.78Å; R87-H111 VanDerWaalsContact CZ-CE1 3.48Å; R87-H111 PolarHBondContact NE-CD2 3.49Å; R87-H111 PolarHBondContact NH2-CE1 3.28Å; R87-H111 PolarHBondContact NH2-NE2 3.2Å; R87-H111 WeakPolarHBondContact O-CB 3.37Å; R87-H111 PolarHBondContact O-N 3.05Å; V109-H111 PolarHBondContact O-N 3.04Å; H111-K113 PolarHBondContact ND1-N 2.53Å; H111-K113 VanDerWaalsContact ND1-N 3.15Å; H111-K113 PolarHBondContact O-N 2.87Å; H111-L114 WeakPolarHBondContact O-CB 3.29Å; H111-L114 PolarHBondContact O-N 3.06Å; H111-S115 PolarHBondContact O-N 2.84Å |
| 112 | T | 97.6 | Very high | 97.6 | Very high | 53 Ų | 53 | 57 Ų | 57 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.2 | -173.9 | -174.9 | 0 | 0 | 0 | 0 | 114.8 | L114 S115 D119 | T112-L114 VanDerWaalsContact C-N 3.27Å; T112-L114 PolarHBondContact O-N 3.4Å; T112-S115 CarbonylContact O-C 3.48Å; T112-D119 WeakPolarHBondContact CA-OD1 3.31Å; T112-D119 WeakPolarHBondContact CB-OD1 3.32Å; T112-D119 PolarHBondContact OG1-OD1 2.79Å; T112-D119 PolarHBondContact OG1-OD2 2.88Å |
| 113 | K | 96.5 | Very high | 97.8 | Very high | 167 Ų | 167 | 52.8 Ų | 52.8 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.2 | 174.7 | -73.1 | -173.3 | -173.5 | -177.4 | 0 | 114.9 | H111 | H111-K113 PolarHBondContact ND1-N 2.53Å; H111-K113 VanDerWaalsContact ND1-N 3.15Å; H111-K113 PolarHBondContact O-N 2.87Å |
| 114 | L | 96.9 | Very high | 97.9 | Very high | 106 Ų | 106 | 52.3 Ų | 52.3 | 56% | 0.555 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -45.4 | 175.8 | -65.5 | -179.7 | 0 | 0 | 0 | 111 | I86 R87 H111 T112 | I86-L114 HydrophobicContact CD1-CD1 4.48Å; I86-L114 HydrophobicContact CG1-CD1 3.84Å; R87-L114 HydrophobicContact CB-CD1 3.98Å; R87-L114 WeakPolarHBondContact O-CD1 3.19Å; H111-L114 WeakPolarHBondContact O-CB 3.29Å; H111-L114 PolarHBondContact O-N 3.06Å; T112-L114 VanDerWaalsContact C-N 3.27Å; T112-L114 PolarHBondContact O-N 3.4Å |
| 115 | S | 97 | Very high | 98 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | trans | -151.7 | 131 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | H111 T112 E117 | H111-S115 PolarHBondContact O-N 2.84Å; T112-S115 CarbonylContact O-C 3.48Å; S115-E117 VanDerWaalsContact C-N 3.25Å; S115-E117 WeakPolarHBondContact OG-CB 3.13Å; S115-E117 PolarHBondContact OG-N 2.89Å | ||
| 116 | K | 97.2 | Very high | 98.1 | Very high | 164 Ų | 164 | 60.6 Ų | 60.6 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -79.5 | -9.9 | 172.2 | -64.2 | -174.1 | 177.8 | -177.5 | 0 | 113 | Y118 D119 | K116-Y118 PolarHBondContact O-N 2.74Å; K116-Y118 VanDerWaalsContact O-N 3.16Å; K116-D119 WeakPolarHBondContact O-CB 3.47Å; K116-D119 PolarHBondContact O-N 3.05Å; K116-D119 VanDerWaalsContact O-N 3.12Å |
| 117 | E | 97.3 | Very high | 98 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -56.3 | -31.7 | 179.4 | -173.3 | 174.7 | 177.5 | 0 | 0 | 111.7 | P77 S115 H120 | P77-E117 VanDerWaalsContact CG-OE2 3.3Å; P77-E117 WeakPolarHBondContact CG-OE2 3.04Å; S115-E117 VanDerWaalsContact C-N 3.25Å; S115-E117 WeakPolarHBondContact OG-CB 3.13Å; S115-E117 PolarHBondContact OG-N 2.89Å; E117-H120 PolarHBondContact O-CE1 2.8Å; E117-H120 PolarHBondContact O-ND1 2.97Å |
| 118 | Y | 97.8 | Very high | 98 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -96.5 | 4 | -176.9 | -60.4 | -91.3 | 0 | 0 | 0 | 114 | P75 T76 P77 R89 V109 P110 K116 H120 I121 | P75-Y118 PolarHBondContact O-OH 2.83Å; T76-Y118 VanDerWaalsContact C-OH 3.28Å; T76-Y118 WeakPolarHBondContact CA-OH 3.43Å; P77-Y118 WeakPolarHBondContact CD-OH 2.94Å; P77-Y118 HydrophobicContact CG-CE2 4.34Å; R89-Y118 PolarHBondContact NH2-O 3.44Å; V109-Y118 HydrophobicContact CB-CD1 3.74Å; V109-Y118 HydrophobicContact CB-CG 4Å; V109-Y118 HydrophobicContact CG1-CD1 3.81Å; P110-Y118 HydrophobicContact CB-CD2 4.05Å; P110-Y118 HydrophobicContact CB-CE2 4.41Å; P110-Y118 HydrophobicContact CG-CD2 3.83Å; P110-Y118 HydrophobicContact CG-CE2 3.78Å; P110-Y118 HydrophobicContact CG-CG 4.37Å; K116-Y118 PolarHBondContact O-N 2.74Å; K116-Y118 VanDerWaalsContact O-N 3.16Å; Y118-H120 PolarHBondContact O-N 2.78Å; Y118-I121 HydrophobicContact CD1-CD1 3.9Å; Y118-I121 PolarHBondContact O-N 3.07Å |
| 119 | D | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 72.4 Ų | 72.4 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26 | -175.9 | -75.8 | -8.8 | 0 | 0 | 0 | 112.8 | T112 K116 I121 | T112-D119 WeakPolarHBondContact CA-OD1 3.31Å; T112-D119 WeakPolarHBondContact CB-OD1 3.32Å; T112-D119 PolarHBondContact OG1-OD1 2.79Å; T112-D119 PolarHBondContact OG1-OD2 2.88Å; K116-D119 WeakPolarHBondContact O-CB 3.47Å; K116-D119 PolarHBondContact O-N 3.05Å; K116-D119 VanDerWaalsContact O-N 3.12Å; D119-I121 VanDerWaalsContact C-N 3.29Å |
| 120 | H | 98.1 | Very high | 97.9 | Very high | 128 Ų | 128 | 78.2 Ų | 78.2 | 59% | 0.593 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.2 | 175.8 | 69.2 | -79.7 | 0 | 0 | 0 | 113.3 | E117 Y118 | E117-H120 PolarHBondContact O-CE1 2.8Å; E117-H120 PolarHBondContact O-ND1 2.97Å; Y118-H120 PolarHBondContact O-N 2.78Å |
| 121 | I | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 79.4 Ų | 79.4 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | trans | -96 | 107.2 | 179 | -55.7 | 169.6 | 0 | 0 | 0 | 108.5 | R89 V91 V109 Y118 D119 D126 L127 | R89-I121 PolarHBondContact NH1-O 2.88Å; R89-I121 VanDerWaalsContact NH1-O 3.14Å; R89-I121 PolarHBondContact NH2-O 2.78Å; R89-I121 VanDerWaalsContact NH2-O 3.14Å; V91-I121 HydrophobicContact CB-CG2 4.39Å; V91-I121 HydrophobicContact CG1-CG2 4.15Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; V109-I121 HydrophobicContact CG1-CB 4.33Å; V109-I121 HydrophobicContact CG1-CD1 4.47Å; V109-I121 HydrophobicContact CG1-CG2 3.91Å; Y118-I121 HydrophobicContact CD1-CD1 3.9Å; Y118-I121 PolarHBondContact O-N 3.07Å; D119-I121 VanDerWaalsContact C-N 3.29Å; I121-D126 HydrophobicContact CB-CB 4.2Å; I121-D126 HydrophobicContact CG1-CB 4.27Å; I121-D126 HydrophobicContact CG2-CB 3.99Å; I121-L127 HydrophobicContact CD1-CD2 4.3Å; I121-L127 HydrophobicContact CG2-CD2 3.86Å; I121-L127 HydrophobicContact CG2-CG 4.11Å | ||
| 122 | K | 98.4 | Very high | 97.9 | Very high | 148 Ų | 148 | 79.7 Ų | 79.7 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | trans | -118.3 | -27.3 | -177.6 | -61.5 | 179.1 | -177.3 | 176.3 | 0 | 112.1 | D126 A159 | K122-D126 WeakPolarHBondContact CA-OD2 3.24Å; K122-D126 PolarHBondContact N-OD2 2.87Å; K122-A159 WeakPolarHBondContact O-CB 3.17Å | ||
| 123 | D | 98.6 | Very high | 98 | Very high | 49 Ų | 49 | 79.8 Ų | 79.8 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -136 | 168.9 | 178.7 | -150 | -34 | 0 | 0 | 0 | 110.8 | V91 N125 D126 N158 A159 | V91-D123 CarbonylContact O-C 3.29Å; V91-D123 VanDerWaalsContact O-C 3.29Å; V91-D123 WeakPolarHBondContact O-CA 2.97Å; D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact O-N 3.15Å; D123-D126 PolarHBondContact N-OD2 3.03Å; D123-D126 WeakPolarHBondContact O-CB 3.26Å; D123-D126 PolarHBondContact O-N 3.03Å; D123-N158 WeakPolarHBondContact OD1-CA 3.4Å; D123-N158 WeakPolarHBondContact OD1-CB 3.34Å; D123-A159 PolarHBondContact OD1-N 3Å |
| 124 | V | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -61.5 | -25.7 | -177.3 | 72.8 | 0 | 0 | 0 | 0 | 111.8 | V91 D126 L127 K132 W156 | V91-V124 PolarHBondContact O-N 3.4Å; V124-D126 VanDerWaalsContact C-N 3.34Å; V124-L127 HydrophobicContact CG2-CD1 4.26Å; V124-L127 WeakPolarHBondContact O-CB 3.44Å; V124-L127 PolarHBondContact O-N 2.81Å; V124-K132 HydrophobicContact CG2-CD 4.1Å; V124-K132 VanDerWaalsContact O-CD 3.31Å; V124-K132 WeakPolarHBondContact O-CD 3.27Å; V124-K132 PolarHBondContact O-NZ 3Å; V124-W156 HydrophobicContact CG2-CB 3.9Å; V124-W156 HydrophobicContact CG2-CD2 3.75Å; V124-W156 HydrophobicContact CG2-CE3 3.46Å; V124-W156 VanDerWaalsContact CG2-CE3 3.46Å; V124-W156 HydrophobicContact CG2-CG 3.98Å; V124-W156 HydrophobicContact CG2-CZ3 4.22Å |
| 125 | N | 98.1 | Very high | 98.1 | Very high | 120 Ų | 120 | 71.3 Ų | 71.3 | 64% | 0.642 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -82.7 | -10 | 178.1 | -67.7 | -40.6 | 0 | 0 | 0 | 114.3 | D123 L127 K132 | D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact O-N 3.15Å; N125-L127 VanDerWaalsContact C-N 3.3Å; N125-K132 PolarHBondContact OD1-NZ 3.03Å; N125-K132 VanDerWaalsContact OD1-NZ 3.1Å |
| 126 | D | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 70.8 Ų | 70.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -82.9 | -12.3 | 170.8 | -56.6 | -37.6 | 0 | 0 | 0 | 111.9 | I121 K122 D123 V124 | I121-D126 HydrophobicContact CB-CB 4.2Å; I121-D126 HydrophobicContact CG1-CB 4.27Å; I121-D126 HydrophobicContact CG2-CB 3.99Å; K122-D126 WeakPolarHBondContact CA-OD2 3.24Å; K122-D126 PolarHBondContact N-OD2 2.87Å; D123-D126 PolarHBondContact N-OD2 3.03Å; D123-D126 WeakPolarHBondContact O-CB 3.26Å; D123-D126 PolarHBondContact O-N 3.03Å; V124-D126 VanDerWaalsContact C-N 3.34Å |
| 127 | L | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -72.3 | 145.7 | 174.7 | -67.9 | 168 | 0 | 0 | 0 | 111.2 | V91 I107 V109 I121 V124 N125 E129 L131 K132 | V91-L127 HydrophobicContact CG2-CD1 4.15Å; V91-L127 HydrophobicContact CG2-CG 4.42Å; I107-L127 HydrophobicContact CD1-CD1 3.57Å; I107-L127 HydrophobicContact CD1-CD2 4.33Å; I107-L127 HydrophobicContact CG1-CD1 4.03Å; I107-L127 HydrophobicContact CG2-CD1 3.88Å; V109-L127 HydrophobicContact CG1-CD2 4.39Å; I121-L127 HydrophobicContact CD1-CD2 4.3Å; I121-L127 HydrophobicContact CG2-CD2 3.86Å; I121-L127 HydrophobicContact CG2-CG 4.11Å; V124-L127 HydrophobicContact CG2-CD1 4.26Å; V124-L127 WeakPolarHBondContact O-CB 3.44Å; V124-L127 PolarHBondContact O-N 2.81Å; N125-L127 VanDerWaalsContact C-N 3.3Å; L127-E129 PolarHBondContact O-N 3.28Å; L127-L131 HydrophobicContact CD2-CD2 4.42Å; L127-K132 HydrophobicContact CB-CD 4.34Å; L127-K132 HydrophobicContact CB-CG 4.05Å; L127-K132 HydrophobicContact CD1-CG 4.37Å |
| 128 | P | 98 | Very high | 98.3 | Very high | 78 Ų | 78 | 63 Ų | 63 | 51% | 0.506 | 33% | 0.325 | S | S | . | . | trans | -53.4 | 131.7 | 172.8 | -25.2 | 33.7 | 0 | 0 | 0 | 111.9 | L130 L131 K132 | P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 3.46Å; P128-L131 HydrophobicContact CB-CB 4.06Å; P128-L131 HydrophobicContact CG-CB 4.49Å; P128-L131 WeakPolarHBondContact O-CB 3.45Å; P128-L131 PolarHBondContact O-N 2.94Å; P128-K132 PolarHBondContact O-N 2.82Å; P128-K132 VanDerWaalsContact O-N 3.13Å | ||
| 129 | E | 98.1 | Very high | 98.3 | Very high | 165 Ų | 165 | 62 Ų | 62 | 77% | 0.771 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.3 | -40.7 | -178.8 | -65.2 | -176.9 | 140.7 | 0 | 0 | 112.1 | L127 L131 K132 A133 | L127-E129 PolarHBondContact O-N 3.28Å; E129-L131 VanDerWaalsContact C-N 3.32Å; E129-L131 PolarHBondContact O-N 3.32Å; E129-K132 PolarHBondContact O-N 2.95Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.94Å |
| 130 | L | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 62 Ų | 62 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 176.4 | -179.5 | 60.5 | 0 | 0 | 0 | 111.9 | P128 A133 Q134 | P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 3.46Å; L130-A133 PolarHBondContact O-N 3.37Å; L130-Q134 HydrophobicContact CD1-CG 4.15Å; L130-Q134 HydrophobicContact CG-CG 4.33Å; L130-Q134 WeakPolarHBondContact O-CB 3.4Å; L130-Q134 VanDerWaalsContact O-CG 3.26Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 2.83Å |
| 131 | L | 98.3 | Very high | 98.3 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 179 | 179.4 | 61.5 | 0 | 0 | 0 | 110.8 | P75 L127 P128 E129 A133 Q134 I135 | P75-L131 HydrophobicContact CB-CD2 4.01Å; P75-L131 HydrophobicContact CG-CD2 4.38Å; L127-L131 HydrophobicContact CD2-CD2 4.42Å; P128-L131 HydrophobicContact CB-CB 4.06Å; P128-L131 HydrophobicContact CG-CB 4.49Å; P128-L131 WeakPolarHBondContact O-CB 3.45Å; P128-L131 PolarHBondContact O-N 2.94Å; E129-L131 VanDerWaalsContact C-N 3.32Å; E129-L131 PolarHBondContact O-N 3.32Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.12Å; L131-Q134 PolarHBondContact O-N 2.83Å; L131-I135 HydrophobicContact CD1-CD1 4.16Å; L131-I135 HydrophobicContact CD1-CG1 4.4Å; L131-I135 HydrophobicContact CG-CD1 4.01Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 2.78Å |
| 132 | K | 98.5 | Very high | 98.2 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.9 | -74 | -167.8 | -71.5 | -170.5 | 0 | 112.2 | V124 N125 L127 P128 E129 I135 A136 W156 | V124-K132 HydrophobicContact CG2-CD 4.1Å; V124-K132 VanDerWaalsContact O-CD 3.31Å; V124-K132 WeakPolarHBondContact O-CD 3.27Å; V124-K132 PolarHBondContact O-NZ 3Å; N125-K132 PolarHBondContact OD1-NZ 3.03Å; N125-K132 VanDerWaalsContact OD1-NZ 3.1Å; L127-K132 HydrophobicContact CB-CD 4.34Å; L127-K132 HydrophobicContact CB-CG 4.05Å; L127-K132 HydrophobicContact CD1-CG 4.37Å; P128-K132 PolarHBondContact O-N 2.82Å; P128-K132 VanDerWaalsContact O-N 3.13Å; E129-K132 PolarHBondContact O-N 2.95Å; K132-I135 PolarHBondContact O-N 3.33Å; K132-A136 WeakPolarHBondContact O-CB 3.43Å; K132-A136 PolarHBondContact O-N 3.24Å; K132-W156 HydrophobicContact CB-CZ2 4.27Å; K132-W156 HydrophobicContact CD-CD2 4.49Å; K132-W156 HydrophobicContact CD-CG 4.4Å; K132-W156 HydrophobicContact CG-CZ2 4.25Å |
| 133 | A | 98.4 | Very high | 98 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E129 L130 L131 A136 H137 | E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.94Å; L130-A133 PolarHBondContact O-N 3.37Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.12Å; A133-A136 PolarHBondContact O-N 3.32Å; A133-H137 VanDerWaalsContact O-CB 3.23Å; A133-H137 WeakPolarHBondContact O-CB 3.21Å; A133-H137 PolarHBondContact O-N 3.42Å |
| 134 | Q | 98.5 | Very high | 97.9 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.4 | -76.2 | 174.3 | -42.7 | 0 | 0 | 112.1 | P53 L130 L131 F138 | P53-Q134 HydrophobicContact CB-CB 4.33Å; L130-Q134 HydrophobicContact CD1-CG 4.15Å; L130-Q134 HydrophobicContact CG-CG 4.33Å; L130-Q134 WeakPolarHBondContact O-CB 3.4Å; L130-Q134 VanDerWaalsContact O-CG 3.26Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 2.83Å; L131-Q134 PolarHBondContact O-N 2.83Å; Q134-F138 VanDerWaalsContact O-CB 3.28Å; Q134-F138 WeakPolarHBondContact O-CB 3.47Å; Q134-F138 PolarHBondContact O-N 2.6Å |
| 135 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 176.3 | -66.9 | 165 | 0 | 0 | 0 | 110.8 | P53 L73 L94 I107 L131 K132 H137 F138 F139 W156 | P53-I135 HydrophobicContact CG-CB 4.42Å; P53-I135 HydrophobicContact CG-CG1 3.67Å; L73-I135 HydrophobicContact CD1-CG2 3.98Å; L73-I135 HydrophobicContact CD2-CG1 4.38Å; L73-I135 HydrophobicContact CD2-CG2 4.12Å; L94-I135 HydrophobicContact CD2-CG2 4.14Å; I107-I135 HydrophobicContact CD1-CD1 3.58Å; L131-I135 HydrophobicContact CD1-CD1 4.16Å; L131-I135 HydrophobicContact CD1-CG1 4.4Å; L131-I135 HydrophobicContact CG-CD1 4.01Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 2.78Å; K132-I135 PolarHBondContact O-N 3.33Å; I135-H137 PolarHBondContact O-N 3.34Å; I135-F138 WeakPolarHBondContact O-CB 3.44Å; I135-F138 PolarHBondContact O-N 2.98Å; I135-F139 HydrophobicContact CG2-CD2 3.92Å; I135-F139 HydrophobicContact CG2-CE2 3.88Å; I135-F139 WeakPolarHBondContact O-CD2 3.21Å; I135-F139 PolarHBondContact O-N 3.15Å; I135-F139 VanDerWaalsContact O-N 3.11Å; I135-W156 HydrophobicContact CB-CH2 4.37Å; I135-W156 HydrophobicContact CB-CZ2 3.98Å; I135-W156 HydrophobicContact CD1-CH2 4.12Å; I135-W156 HydrophobicContact CD1-CZ2 4.26Å; I135-W156 HydrophobicContact CG2-CH2 3.86Å; I135-W156 HydrophobicContact CG2-CZ2 3.81Å |
| 136 | A | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L94 K132 A133 F138 F139 E140 V153 | L94-A136 HydrophobicContact CD1-CB 4.49Å; K132-A136 WeakPolarHBondContact O-CB 3.43Å; K132-A136 PolarHBondContact O-N 3.24Å; A133-A136 PolarHBondContact O-N 3.32Å; A136-F138 VanDerWaalsContact C-N 3.3Å; A136-F138 PolarHBondContact O-N 3.03Å; A136-F139 PolarHBondContact O-N 3.28Å; A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 2.86Å; A136-V153 HydrophobicContact CB-CG1 4.26Å |
| 137 | H | 98.4 | Very high | 97.5 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 176.2 | -178.1 | -65.1 | 0 | 0 | 0 | 112.1 | A133 I135 H141 | A133-H137 VanDerWaalsContact O-CB 3.23Å; A133-H137 WeakPolarHBondContact O-CB 3.21Å; A133-H137 PolarHBondContact O-N 3.42Å; I135-H137 PolarHBondContact O-N 3.34Å; H137-H141 AromaticContact CD2-CD2 3.78Å; H137-H141 AromaticContact CE1-CD2 3.57Å; H137-H141 AromaticContact CG-CD2 3.84Å; H137-H141 AromaticContact ND1-CD2 3.71Å; H137-H141 AromaticContact NE2-CD2 3.65Å; H137-H141 WeakPolarHBondContact O-CB 3.5Å; H137-H141 PolarHBondContact O-CD2 2.84Å; H137-H141 VanDerWaalsContact O-CD2 3.31Å; H137-H141 PolarHBondContact O-N 2.83Å |
| 138 | F | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -54.1 | 176.6 | 174 | -92.2 | 0 | 0 | 0 | 111 | M46 M50 F51 Y52 P53 Q134 I135 A136 E140 H141 Y142 | M46-F138 HydrophobicContact CE-CE2 3.65Å; M46-F138 HydrophobicContact CE-CZ 3.6Å; M50-F138 HydrophobicContact CB-CD2 4.32Å; M50-F138 HydrophobicContact CB-CE2 4.25Å; M50-F138 HydrophobicContact CE-CB 4.49Å; M50-F138 HydrophobicContact CE-CD2 4.2Å; F51-F138 VanDerWaalsContact C-CE2 3.45Å; F51-F138 WeakPolarHBondContact O-CD2 3.38Å; F51-F138 WeakPolarHBondContact O-CE2 3.4Å; Y52-F138 HydrophobicContact CD1-CD1 4.47Å; Y52-F138 AromaticContact CD1-CE1 3.64Å; Y52-F138 HydrophobicContact CD1-CE1 3.64Å; Y52-F138 AromaticContact CD1-CZ 3.79Å; Y52-F138 HydrophobicContact CD1-CZ 3.79Å; Y52-F138 HydrophobicContact CD2-CE1 4.27Å; Y52-F138 HydrophobicContact CD2-CE2 4.18Å; Y52-F138 AromaticContact CD2-CZ 3.55Å; Y52-F138 HydrophobicContact CD2-CZ 3.55Å; Y52-F138 AromaticContact CE1-CE1 3.51Å; Y52-F138 HydrophobicContact CE1-CE1 3.51Å; Y52-F138 AromaticContact CE1-CZ 3.77Å; Y52-F138 HydrophobicContact CE1-CZ 3.77Å; Y52-F138 HydrophobicContact CE2-CE1 4.14Å; Y52-F138 HydrophobicContact CE2-CE2 4.48Å; Y52-F138 AromaticContact CE2-CZ 3.52Å; Y52-F138 HydrophobicContact CE2-CZ 3.52Å; Y52-F138 HydrophobicContact CG-CE1 4.04Å; Y52-F138 HydrophobicContact CG-CE2 4.29Å; Y52-F138 AromaticContact CG-CZ 3.69Å; Y52-F138 HydrophobicContact CG-CZ 3.69Å; Y52-F138 AromaticContact CZ-CE1 3.78Å; Y52-F138 AromaticContact CZ-CZ 3.64Å; P53-F138 HydrophobicContact CG-CB 4.49Å; Q134-F138 VanDerWaalsContact O-CB 3.28Å; Q134-F138 WeakPolarHBondContact O-CB 3.47Å; Q134-F138 PolarHBondContact O-N 2.6Å; I135-F138 WeakPolarHBondContact O-CB 3.44Å; I135-F138 PolarHBondContact O-N 2.98Å; A136-F138 VanDerWaalsContact C-N 3.3Å; A136-F138 PolarHBondContact O-N 3.03Å; F138-E140 PolarHBondContact O-N 3.41Å; F138-H141 PolarHBondContact O-N 2.92Å; F138-Y142 HydrophobicContact CE1-CG 4.36Å; F138-Y142 HydrophobicContact CZ-CG 4.38Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.31Å |
| 139 | F | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.5 | -33.2 | -176.9 | -75.4 | -70.5 | 0 | 0 | 0 | 113.6 | Y52 Y56 L73 L94 M96 K105 I135 A136 H141 Y142 V151 | Y52-F139 HydrophobicContact CE1-CE1 4.47Å; Y52-F139 HydrophobicContact CE1-CZ 4.37Å; Y56-F139 HydrophobicContact CD2-CZ 4.22Å; Y56-F139 HydrophobicContact CE2-CE1 4.24Å; Y56-F139 AromaticContact CE2-CZ 3.85Å; Y56-F139 HydrophobicContact CE2-CZ 3.85Å; L73-F139 HydrophobicContact CD1-CE2 3.74Å; L73-F139 HydrophobicContact CD1-CZ 4.2Å; L73-F139 HydrophobicContact CD2-CE2 3.83Å; L73-F139 HydrophobicContact CD2-CZ 4.15Å; L73-F139 HydrophobicContact CG-CE2 4.28Å; L73-F139 HydrophobicContact CG-CZ 4.49Å; L94-F139 HydrophobicContact CD2-CB 4.36Å; L94-F139 HydrophobicContact CD2-CD2 3.74Å; L94-F139 HydrophobicContact CD2-CE2 4.49Å; L94-F139 HydrophobicContact CD2-CG 4.35Å; M96-F139 HydrophobicContact CE-CD1 3.94Å; M96-F139 HydrophobicContact CE-CE1 4.47Å; M96-F139 HydrophobicContact CE-CG 4.32Å; M96-F139 HydrophobicContact SD-CB 3.72Å; M96-F139 HydrophobicContact SD-CD1 4.17Å; M96-F139 HydrophobicContact SD-CG 3.98Å; K105-F139 HydrophobicContact CB-CE2 4.48Å; K105-F139 HydrophobicContact CB-CZ 4.49Å; K105-F139 HydrophobicContact CG-CE1 4.12Å; K105-F139 HydrophobicContact CG-CE2 4.27Å; K105-F139 HydrophobicContact CG-CZ 3.97Å; I135-F139 HydrophobicContact CG2-CD2 3.92Å; I135-F139 HydrophobicContact CG2-CE2 3.88Å; I135-F139 WeakPolarHBondContact O-CD2 3.21Å; I135-F139 PolarHBondContact O-N 3.15Å; I135-F139 VanDerWaalsContact O-N 3.11Å; A136-F139 PolarHBondContact O-N 3.28Å; F139-H141 VanDerWaalsContact C-N 3.27Å; F139-H141 PolarHBondContact O-N 2.77Å; F139-Y142 HydrophobicContact CD1-CD1 4.42Å; F139-Y142 HydrophobicContact CD1-CE1 4.02Å; F139-Y142 VanDerWaalsContact O-CD1 3.24Å; F139-Y142 WeakPolarHBondContact O-CD1 3.16Å; F139-Y142 WeakPolarHBondContact O-CE1 3.33Å; F139-V151 WeakPolarHBondContact O-CB 3.43Å; F139-V151 VanDerWaalsContact O-CG1 3.29Å; F139-V151 WeakPolarHBondContact O-CG1 3.37Å; F139-V151 WeakPolarHBondContact O-CG2 3.1Å |
| 140 | E | 97.7 | Very high | 97.1 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 174.8 | -164.4 | 83.9 | -163 | 0 | 0 | 111.6 | A136 F138 V153 | A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 2.86Å; F138-E140 PolarHBondContact O-N 3.41Å; E140-V153 HydrophobicContact CB-CG2 4.29Å; E140-V153 WeakPolarHBondContact OE2-CA 3.28Å; E140-V153 WeakPolarHBondContact OE2-CB 3.45Å; E140-V153 WeakPolarHBondContact OE2-CG2 3.35Å; E140-V153 PolarHBondContact OE2-N 3.39Å |
| 141 | H | 97.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -114.1 | -14.1 | -164.3 | -68.1 | -64.2 | 0 | 0 | 0 | 116 | M50 H137 F138 F139 K143 D144 | M50-H141 HydrophobicContact CE-CB 4.04Å; M50-H141 HydrophobicContact SD-CB 4.02Å; H137-H141 AromaticContact CD2-CD2 3.78Å; H137-H141 AromaticContact CE1-CD2 3.57Å; H137-H141 AromaticContact CG-CD2 3.84Å; H137-H141 AromaticContact ND1-CD2 3.71Å; H137-H141 AromaticContact NE2-CD2 3.65Å; H137-H141 WeakPolarHBondContact O-CB 3.5Å; H137-H141 PolarHBondContact O-CD2 2.84Å; H137-H141 VanDerWaalsContact O-CD2 3.31Å; H137-H141 PolarHBondContact O-N 2.83Å; F138-H141 PolarHBondContact O-N 2.92Å; F139-H141 VanDerWaalsContact C-N 3.27Å; F139-H141 PolarHBondContact O-N 2.77Å; H141-K143 PolarHBondContact O-N 2.92Å; H141-D144 IonicContact CE1-OD2 3.71Å; H141-D144 IonicContact CG-OD2 3.98Å; H141-D144 IonicContact ND1-OD1 3.93Å; H141-D144 IonicContact ND1-OD2 3.58Å; H141-D144 PolarHBondContact ND1-OD2 2.91Å; H141-D144 WeakPolarHBondContact O-CB 3.43Å; H141-D144 VanDerWaalsContact O-CG 3.23Å; H141-D144 PolarHBondContact O-N 3.31Å |
| 142 | Y | 96.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.6 | -172.3 | 80.6 | -73.8 | 0 | 0 | 0 | 114.1 | M46 T48 F138 F139 V151 | M46-Y142 HydrophobicContact CE-CD2 4.04Å; M46-Y142 HydrophobicContact CE-CG 4.37Å; T48-Y142 WeakPolarHBondContact CG2-O 3.5Å; T48-Y142 PolarHBondContact OG1-O 2.97Å; F138-Y142 HydrophobicContact CE1-CG 4.36Å; F138-Y142 HydrophobicContact CZ-CG 4.38Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.31Å; F139-Y142 HydrophobicContact CD1-CD1 4.42Å; F139-Y142 HydrophobicContact CD1-CE1 4.02Å; F139-Y142 VanDerWaalsContact O-CD1 3.24Å; F139-Y142 WeakPolarHBondContact O-CD1 3.16Å; F139-Y142 WeakPolarHBondContact O-CE1 3.33Å; Y142-V151 HydrophobicContact CE1-CG2 3.98Å |
| 143 | K | 95.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.1 | 178.5 | -80.4 | 167.5 | 161 | -171.3 | 0 | 114.1 | D98 E99 H141 L145 E146 K149 V151 | D98-K143 IonicContact OD2-NZ 2.67Å; D98-K143 PolarHBondContact OD2-NZ 3.48Å; E99-K143 IonicContact OE1-NZ 3.65Å; E99-K143 PolarHBondContact OE1-NZ 3.11Å; E99-K143 IonicContact OE2-NZ 3.25Å; E99-K143 PolarHBondContact OE2-NZ 3.2Å; H141-K143 PolarHBondContact O-N 2.92Å; K143-L145 PolarHBondContact O-N 2.86Å; K143-E146 WeakPolarHBondContact O-CB 3.29Å; K143-E146 PolarHBondContact O-N 3.1Å; K143-K149 HydrophobicContact CB-CB 4Å; K143-K149 HydrophobicContact CD-CB 4.25Å; K143-K149 HydrophobicContact CG-CB 4.27Å; K143-V151 HydrophobicContact CD-CG2 3.66Å |
| 144 | D | 96.6 | Very high | 97 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.7 | -170.2 | -81.1 | -2.9 | 0 | 0 | 0 | 115.2 | T48 H141 | T48-D144 HydrophobicContact CG2-CB 4.29Å; H141-D144 IonicContact CE1-OD2 3.71Å; H141-D144 IonicContact CG-OD2 3.98Å; H141-D144 IonicContact ND1-OD1 3.93Å; H141-D144 IonicContact ND1-OD2 3.58Å; H141-D144 PolarHBondContact ND1-OD2 2.91Å; H141-D144 WeakPolarHBondContact O-CB 3.43Å; H141-D144 VanDerWaalsContact O-CG 3.23Å; H141-D144 PolarHBondContact O-N 3.31Å |
| 145 | L | 97.1 | Very high | 97 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.5 | 179.4 | -62.8 | 179.6 | 0 | 0 | 0 | 113.3 | S47 T48 K143 | S47-L145 WeakPolarHBondContact O-CD1 3.47Å; T48-L145 HydrophobicContact CG2-CB 4.29Å; T48-L145 HydrophobicContact CG2-CD1 4.17Å; T48-L145 HydrophobicContact CG2-CG 4Å; K143-L145 PolarHBondContact O-N 2.86Å |
| 146 | E | 94.3 | Very high | 97 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -94.3 | 116.8 | 176.1 | -60.6 | -176.8 | -156.2 | 0 | 0 | 110.2 | R44 K143 G148 K149 | R44-E146 IonicContact NE-OE1 3.79Å; K143-E146 WeakPolarHBondContact O-CB 3.29Å; K143-E146 PolarHBondContact O-N 3.1Å; E146-G148 PolarHBondContact O-N 2.9Å; E146-K149 HydrophobicContact CB-CB 3.82Å; E146-K149 HydrophobicContact CB-CG 3.61Å; E146-K149 WeakPolarHBondContact O-CB 3.48Å; E146-K149 PolarHBondContact O-N 2.88Å; E146-K149 VanDerWaalsContact O-N 3.15Å |
| 147 | K | 94.3 | Very high | 97 | Very high | 211 Ų | 211 | 69.8 Ų | 69.8 | 92% | 0.917 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 123.9 | -174.2 | -69.6 | -177.2 | -179.3 | 177.7 | 0 | 112 | K149 | K147-K149 PolarHBondContact O-N 2.86Š|
| 148 | G | 94.8 | Very high | 97 | Very high | 70 Ų | 70 | 68 Ų | 68 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E146 | E146-G148 PolarHBondContact O-N 2.9Š|
| 149 | K | 96.1 | Very high | 97 | Very high | 90 Ų | 90 | 68 Ų | 68 | 39% | 0.391 | 34% | 0.34 | S | S | . | . | trans | -93.4 | 144.4 | 174.2 | -60.1 | -65.1 | -168.3 | 175.6 | 0 | 109.7 | E99 K143 E146 K147 | E99-K149 HydrophobicContact CG-CD 3.94Å; E99-K149 WeakPolarHBondContact OE1-CD 3.21Å; E99-K149 WeakPolarHBondContact OE1-CE 3.17Å; E99-K149 IonicContact OE1-NZ 3.1Å; E99-K149 PolarHBondContact OE1-NZ 3.29Å; K143-K149 HydrophobicContact CB-CB 4Å; K143-K149 HydrophobicContact CD-CB 4.25Å; K143-K149 HydrophobicContact CG-CB 4.27Å; E146-K149 HydrophobicContact CB-CB 3.82Å; E146-K149 HydrophobicContact CB-CG 3.61Å; E146-K149 WeakPolarHBondContact O-CB 3.48Å; E146-K149 PolarHBondContact O-N 2.88Å; E146-K149 VanDerWaalsContact O-N 3.15Å; K147-K149 PolarHBondContact O-N 2.86Å | ||
| 150 | W | 96.4 | Very high | 97.1 | Very high | 126 Ų | 126 | 73.5 Ų | 73.5 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | trans | -157 | 153.1 | 176.5 | 56.3 | -91.2 | 0 | 0 | 0 | 109.1 | T97 D98 E99 K152 | T97-W150 HydrophobicContact CG2-CH2 3.91Å; T97-W150 HydrophobicContact CG2-CZ3 4.15Å; T97-W150 VanDerWaalsContact O-CZ3 3.31Å; T97-W150 WeakPolarHBondContact O-CZ3 3.37Å; D98-W150 VanDerWaalsContact C-CH2 3.47Å; D98-W150 WeakPolarHBondContact CA-O 3.38Å; D98-W150 VanDerWaalsContact CB-O 3.3Å; D98-W150 WeakPolarHBondContact CB-O 3.5Å; D98-W150 WeakPolarHBondContact O-CH2 3.39Å; D98-W150 WeakPolarHBondContact O-CZ2 3.35Å; E99-W150 PolarHBondContact OE2-N 3.24Å; W150-K152 HydrophobicContact CE3-CB 4.46Å; W150-K152 HydrophobicContact CZ3-CB 4.27Å | ||
| 151 | V | 97.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.8 | 171.6 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | M96 D98 F139 Y142 K143 | M96-V151 HydrophobicContact CB-CG1 4.17Å; M96-V151 HydrophobicContact CG-CG1 4.33Å; M96-V151 HydrophobicContact SD-CG1 3.79Å; D98-V151 HydrophobicContact CB-CG2 4.02Å; F139-V151 WeakPolarHBondContact O-CB 3.43Å; F139-V151 VanDerWaalsContact O-CG1 3.29Å; F139-V151 WeakPolarHBondContact O-CG1 3.37Å; F139-V151 WeakPolarHBondContact O-CG2 3.1Å; Y142-V151 HydrophobicContact CE1-CG2 3.98Å; K143-V151 HydrophobicContact CD-CG2 3.66Å |
| 152 | K | 97.9 | Very high | 97.2 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.9 | 172.5 | -177.4 | -173.5 | 176.3 | -167 | 0 | 109 | M96 T97 W150 | M96-K152 CarbonylContact C-O 3.59Å; M96-K152 VanDerWaalsContact CA-O 3.24Å; M96-K152 WeakPolarHBondContact CA-O 3.46Å; M96-K152 WeakPolarHBondContact CB-O 3.47Å; T97-K152 PolarHBondContact N-O 2.99Å; T97-K152 PolarHBondContact O-N 3.49Å; W150-K152 HydrophobicContact CE3-CB 4.46Å; W150-K152 HydrophobicContact CZ3-CB 4.27Å |
| 153 | V | 98 | Very high | 97.3 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.1 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | L94 M96 A136 E140 | L94-V153 HydrophobicContact CD1-CG1 3.62Å; L94-V153 HydrophobicContact CD2-CG2 4.45Å; L94-V153 HydrophobicContact CG-CG1 4.35Å; M96-V153 HydrophobicContact CB-CG2 4.46Å; A136-V153 HydrophobicContact CB-CG1 4.26Å; E140-V153 HydrophobicContact CB-CG2 4.29Å; E140-V153 WeakPolarHBondContact OE2-CA 3.28Å; E140-V153 WeakPolarHBondContact OE2-CB 3.45Å; E140-V153 WeakPolarHBondContact OE2-CG2 3.35Å; E140-V153 PolarHBondContact OE2-N 3.39Å |
| 154 | E | 97.6 | Very high | 97.5 | Very high | 121 Ų | 121 | 71.8 Ų | 71.8 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -34.1 | 178.5 | -59.6 | -176.1 | 166.5 | 0 | 0 | 111.4 | K95 T97 | K95-E154 HydrophobicContact CB-CB 4.13Å; K95-E154 WeakPolarHBondContact O-CB 3.16Å; K95-E154 PolarHBondContact O-N 3.33Å; T97-E154 PolarHBondContact OG1-OE1 3.37Å |
| 155 | G | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -174.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K95 | K95-G155 PolarHBondContact N-O 3.05Å; K95-G155 PolarHBondContact O-N 3.31Å |
| 156 | W | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132 | 176.9 | -73.3 | 99.4 | 0 | 0 | 0 | 110.8 | V93 L94 I107 V124 K132 I135 | V93-W156 WeakPolarHBondContact O-CA 3.37Å; L94-W156 HydrophobicContact CB-CD2 4.46Å; L94-W156 HydrophobicContact CB-CE3 4.04Å; L94-W156 HydrophobicContact CB-CH2 4.05Å; L94-W156 HydrophobicContact CB-CZ2 4.43Å; L94-W156 HydrophobicContact CB-CZ3 3.82Å; L94-W156 HydrophobicContact CD1-CD2 3.93Å; L94-W156 HydrophobicContact CD1-CE3 4.36Å; L94-W156 HydrophobicContact CD1-CG 4.29Å; L94-W156 HydrophobicContact CD1-CZ2 4.06Å; I107-W156 HydrophobicContact CB-CH2 4.31Å; I107-W156 HydrophobicContact CB-CZ3 4.05Å; I107-W156 HydrophobicContact CD1-CH2 4.3Å; I107-W156 HydrophobicContact CG2-CE3 4.31Å; I107-W156 HydrophobicContact CG2-CH2 4.13Å; I107-W156 HydrophobicContact CG2-CZ3 3.48Å; I107-W156 VanDerWaalsContact CG2-CZ3 3.48Å; V124-W156 HydrophobicContact CG2-CB 3.9Å; V124-W156 HydrophobicContact CG2-CD2 3.75Å; V124-W156 HydrophobicContact CG2-CE3 3.46Å; V124-W156 VanDerWaalsContact CG2-CE3 3.46Å; V124-W156 HydrophobicContact CG2-CG 3.98Å; V124-W156 HydrophobicContact CG2-CZ3 4.22Å; K132-W156 HydrophobicContact CB-CZ2 4.27Å; K132-W156 HydrophobicContact CD-CD2 4.49Å; K132-W156 HydrophobicContact CD-CG 4.4Å; K132-W156 HydrophobicContact CG-CZ2 4.25Å; I135-W156 HydrophobicContact CB-CH2 4.37Å; I135-W156 HydrophobicContact CB-CZ2 3.98Å; I135-W156 HydrophobicContact CD1-CH2 4.12Å; I135-W156 HydrophobicContact CD1-CZ2 4.26Å; I135-W156 HydrophobicContact CG2-CH2 3.86Å; I135-W156 HydrophobicContact CG2-CZ2 3.81Å |
| 157 | E | 98.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 63.9 Ų | 63.9 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 162.7 | 163.7 | -54.4 | -177 | 157.5 | 0 | 0 | 110.8 | G92 V93 K95 A161 | G92-E157 VanDerWaalsContact CA-O 3.29Å; G92-E157 WeakPolarHBondContact CA-O 3.21Å; V93-E157 HydrophobicContact CG1-CB 3.7Å; V93-E157 HydrophobicContact CG1-CG 4.48Å; V93-E157 PolarHBondContact N-O 2.83Å; V93-E157 PolarHBondContact O-N 2.91Å; K95-E157 WeakPolarHBondContact CE-OE2 3.3Å; K95-E157 HydrophobicContact CG-CG 3.93Å; K95-E157 IonicContact NZ-OE2 2.86Å; E157-A161 HydrophobicContact CB-CB 3.55Å; E157-A161 HydrophobicContact CG-CB 4.47Å; E157-A161 VanDerWaalsContact OE2-CB 3.26Å; E157-A161 WeakPolarHBondContact OE2-CB 3.19Å |
| 158 | N | 98.7 | Very high | 98 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -77.9 | 179.4 | -168.4 | 66.6 | 7.5 | 0 | 0 | 0 | 113.8 | D123 E160 A161 A162 | D123-N158 WeakPolarHBondContact OD1-CA 3.4Å; D123-N158 WeakPolarHBondContact OD1-CB 3.34Å; N158-E160 PolarHBondContact O-N 3.22Å; N158-E160 PolarHBondContact OD1-N 3.29Å; N158-A161 PolarHBondContact O-N 3.28Å; N158-A161 PolarHBondContact OD1-N 3.05Å; N158-A162 PolarHBondContact O-N 2.74Å; N158-A162 VanDerWaalsContact O-N 3.12Å | ||
| 159 | A | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.6 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V91 K122 D123 A162 K163 | V91-A159 WeakPolarHBondContact O-CA 3.34Å; V91-A159 PolarHBondContact O-N 3.42Å; V91-A159 VanDerWaalsContact O-N 3.17Å; K122-A159 WeakPolarHBondContact O-CB 3.17Å; D123-A159 PolarHBondContact OD1-N 3Å; A159-A162 WeakPolarHBondContact O-CB 3.06Å; A159-A162 PolarHBondContact O-N 2.83Å; A159-K163 VanDerWaalsContact O-CG 3.23Å; A159-K163 WeakPolarHBondContact O-CG 3.49Å; A159-K163 PolarHBondContact O-N 2.86Å |
| 160 | E | 98.7 | Very high | 98.2 | Very high | 117 Ų | 117 | 50.2 Ų | 50.2 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.5 | -66.9 | -59.7 | 120.4 | 0 | 0 | 112.1 | N158 K163 A164 | N158-E160 PolarHBondContact O-N 3.22Å; N158-E160 PolarHBondContact OD1-N 3.29Å; E160-K163 PolarHBondContact O-N 3.32Å; E160-K163 IonicContact OE1-NZ 2.53Å; E160-K163 PolarHBondContact OE1-NZ 3.41Å; E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 2.79Å |
| 161 | A | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V93 E157 N158 K163 A164 E165 | V93-A161 HydrophobicContact CG1-CB 3.86Å; E157-A161 HydrophobicContact CB-CB 3.55Å; E157-A161 HydrophobicContact CG-CB 4.47Å; E157-A161 VanDerWaalsContact OE2-CB 3.26Å; E157-A161 WeakPolarHBondContact OE2-CB 3.19Å; N158-A161 PolarHBondContact O-N 3.28Å; N158-A161 PolarHBondContact OD1-N 3.05Å; A161-K163 VanDerWaalsContact C-N 3.35Å; A161-K163 PolarHBondContact O-N 3.26Å; A161-A164 PolarHBondContact O-N 3.17Å; A161-E165 PolarHBondContact O-N 3.14Å |
| 162 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P90 G92 V93 L106 N158 A159 E165 I166 | P90-A162 HydrophobicContact CB-CB 4.08Å; G92-A162 WeakPolarHBondContact O-CB 3.4Å; V93-A162 HydrophobicContact CB-CB 4.26Å; L106-A162 HydrophobicContact CD2-CB 3.95Å; N158-A162 PolarHBondContact O-N 2.74Å; N158-A162 VanDerWaalsContact O-N 3.12Å; A159-A162 WeakPolarHBondContact O-CB 3.06Å; A159-A162 PolarHBondContact O-N 2.83Å; A162-E165 PolarHBondContact O-N 3.14Å; A162-I166 WeakPolarHBondContact O-CG1 3.31Å; A162-I166 PolarHBondContact O-N 2.96Å; A162-I166 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 47 Ų | 47 | 13% | 0.13 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.1 | -72.7 | 172.9 | -168 | -175.4 | 0 | 112.2 | P13 E14 P90 A159 E160 A161 E165 I166 V167 | P13-K163 HydrophobicContact CB-CB 3.82Å; P13-K163 HydrophobicContact CB-CG 3.97Å; P13-K163 HydrophobicContact CG-CB 3.56Å; P13-K163 HydrophobicContact CG-CD 4.22Å; P13-K163 HydrophobicContact CG-CG 3.78Å; E14-K163 VanDerWaalsContact CD-NZ 3.34Å; E14-K163 WeakPolarHBondContact OE1-CD 3.3Å; E14-K163 VanDerWaalsContact OE1-CE 3.23Å; E14-K163 WeakPolarHBondContact OE1-CE 3.24Å; E14-K163 IonicContact OE1-NZ 2.88Å; E14-K163 PolarHBondContact OE1-NZ 3.29Å; E14-K163 WeakPolarHBondContact OE2-CE 3.41Å; E14-K163 IonicContact OE2-NZ 3.69Å; E14-K163 PolarHBondContact OE2-NZ 3.18Å; E14-K163 VanDerWaalsContact OE2-NZ 3.1Å; P90-K163 HydrophobicContact CG-CG 3.88Å; A159-K163 VanDerWaalsContact O-CG 3.23Å; A159-K163 WeakPolarHBondContact O-CG 3.49Å; A159-K163 PolarHBondContact O-N 2.86Å; E160-K163 PolarHBondContact O-N 3.32Å; E160-K163 IonicContact OE1-NZ 2.53Å; E160-K163 PolarHBondContact OE1-NZ 3.41Å; A161-K163 VanDerWaalsContact C-N 3.35Å; A161-K163 PolarHBondContact O-N 3.26Å; K163-E165 VanDerWaalsContact C-N 3.32Å; K163-E165 PolarHBondContact O-N 2.9Å; K163-I166 PolarHBondContact O-N 3.19Å; K163-V167 WeakPolarHBondContact O-CG2 3.44Å; K163-V167 PolarHBondContact O-N 2.88Å |
| 164 | A | 98.5 | Very high | 98 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E160 A161 V167 A168 | E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 2.79Å; A161-A164 PolarHBondContact O-N 3.17Å; A164-V167 PolarHBondContact O-N 2.98Å; A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 3.29Å |
| 165 | E | 98.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.7 | -171.6 | 56.6 | -117.9 | 0 | 0 | 112 | K95 L106 A161 A162 K163 V167 A168 S169 R172 | K95-E165 IonicContact NZ-OE2 3.97Å; L106-E165 HydrophobicContact CD2-CB 4.22Å; L106-E165 HydrophobicContact CD2-CG 4.36Å; A161-E165 PolarHBondContact O-N 3.14Å; A162-E165 PolarHBondContact O-N 3.14Å; K163-E165 VanDerWaalsContact C-N 3.32Å; K163-E165 PolarHBondContact O-N 2.9Å; E165-V167 PolarHBondContact O-N 3.48Å; E165-A168 PolarHBondContact O-N 2.84Å; E165-S169 VanDerWaalsContact O-CB 3.23Å; E165-S169 WeakPolarHBondContact O-CB 3.23Å; E165-S169 PolarHBondContact O-N 3.42Å; E165-S169 PolarHBondContact O-OG 3.26Å; E165-S169 PolarHBondContact OE1-OG 2.81Å; E165-R172 IonicContact OE1-NH1 2.74Å; E165-R172 PolarHBondContact OE1-NH1 3.45Å |
| 166 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 176.3 | -66.6 | 162.4 | 0 | 0 | 0 | 110.8 | L12 P13 I16 I59 P90 L106 A162 K163 F170 | L12-I166 HydrophobicContact CD2-CG2 3.98Å; L12-I166 HydrophobicContact CG-CG2 4.19Å; P13-I166 HydrophobicContact CB-CB 4.01Å; P13-I166 HydrophobicContact CB-CD1 4.28Å; P13-I166 HydrophobicContact CB-CG2 3.97Å; I16-I166 HydrophobicContact CD1-CD1 4.29Å; I16-I166 HydrophobicContact CG2-CD1 4.05Å; I16-I166 HydrophobicContact CG2-CG2 4.29Å; I59-I166 HydrophobicContact CD1-CD1 4.22Å; I59-I166 HydrophobicContact CD1-CG1 3.87Å; P90-I166 HydrophobicContact CB-CD1 3.74Å; P90-I166 HydrophobicContact CG-CD1 3.73Å; L106-I166 HydrophobicContact CD1-CD1 3.73Å; L106-I166 HydrophobicContact CD1-CG1 3.39Å; A162-I166 WeakPolarHBondContact O-CG1 3.31Å; A162-I166 PolarHBondContact O-N 2.96Å; A162-I166 VanDerWaalsContact O-N 3.09Å; K163-I166 PolarHBondContact O-N 3.19Å; I166-F170 VanDerWaalsContact O-CB 3.24Å; I166-F170 WeakPolarHBondContact O-CB 3.46Å; I166-F170 PolarHBondContact O-N 3Å |
| 167 | V | 98.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | P13 K163 A164 E165 S169 F170 E171 | P13-V167 HydrophobicContact CB-CG2 3.96Å; P13-V167 HydrophobicContact CG-CG2 3.83Å; K163-V167 WeakPolarHBondContact O-CG2 3.44Å; K163-V167 PolarHBondContact O-N 2.88Å; A164-V167 PolarHBondContact O-N 2.98Å; E165-V167 PolarHBondContact O-N 3.48Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3.13Å; V167-F170 PolarHBondContact O-N 3.15Å; V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 2.92Å |
| 168 | A | 98 | Very high | 96.8 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A164 E165 E171 R172 | A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 3.29Å; E165-A168 PolarHBondContact O-N 2.84Å; A168-E171 PolarHBondContact O-N 2.82Å; A168-R172 WeakPolarHBondContact O-CG 3.41Å; A168-R172 PolarHBondContact O-N 2.88Å |
| 169 | S | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | -180 | -70.8 | 0 | 0 | 0 | 0 | 113.3 | L63 V70 E165 V167 R172 A173 | L63-S169 PolarHBondContact N-O 3.22Å; L63-S169 WeakPolarHBondContact O-CA 3.41Å; L63-S169 WeakPolarHBondContact O-CB 3.37Å; L63-S169 PolarHBondContact O-OG 3.45Å; V70-S169 VanDerWaalsContact CG2-OG 3.31Å; V70-S169 WeakPolarHBondContact CG2-OG 3.21Å; E165-S169 VanDerWaalsContact O-CB 3.23Å; E165-S169 WeakPolarHBondContact O-CB 3.23Å; E165-S169 PolarHBondContact O-N 3.42Å; E165-S169 PolarHBondContact O-OG 3.26Å; E165-S169 PolarHBondContact OE1-OG 2.81Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3.13Å; S169-R172 PolarHBondContact O-N 3.33Å; S169-R172 PolarHBondContact OG-NH1 3.02Å; S169-A173 WeakPolarHBondContact O-CB 3.41Å; S169-A173 PolarHBondContact O-N 2.93Å |
| 170 | F | 97.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 171.7 | -173.8 | -115.1 | 0 | 0 | 0 | 111.9 | A8 L12 H61 T62 I166 V167 A173 K174 | A8-F170 HydrophobicContact CB-CD2 4.02Å; A8-F170 HydrophobicContact CB-CE2 3.93Å; L12-F170 HydrophobicContact CD2-CB 3.97Å; L12-F170 HydrophobicContact CD2-CD1 3.92Å; L12-F170 HydrophobicContact CD2-CD2 3.69Å; L12-F170 HydrophobicContact CD2-CE1 4.25Å; L12-F170 HydrophobicContact CD2-CE2 4.13Å; L12-F170 HydrophobicContact CD2-CG 3.61Å; L12-F170 HydrophobicContact CD2-CZ 4.39Å; H61-F170 HydrophobicContact CB-CD2 4.49Å; H61-F170 HydrophobicContact CB-CE2 4.19Å; H61-F170 WeakPolarHBondContact O-CD2 3.17Å; T62-F170 HydrophobicContact CG2-CB 4.4Å; I166-F170 VanDerWaalsContact O-CB 3.24Å; I166-F170 WeakPolarHBondContact O-CB 3.46Å; I166-F170 PolarHBondContact O-N 3Å; V167-F170 PolarHBondContact O-N 3.15Å; F170-A173 PolarHBondContact O-N 2.84Å; F170-K174 HydrophobicContact CE1-CD 4.38Å; F170-K174 PolarHBondContact O-N 3.43Å |
| 171 | E | 97.8 | Very high | 96.5 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 176.1 | -70 | -56.3 | 134.9 | 0 | 0 | 112.4 | V167 A168 A173 K174 N175 | V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 2.92Å; A168-E171 PolarHBondContact O-N 2.82Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 3.12Å; E171-K174 PolarHBondContact O-N 3.02Å; E171-K174 IonicContact OE1-NZ 2.76Å; E171-K174 PolarHBondContact OE1-NZ 3.27Å; E171-K174 IonicContact OE2-NZ 3.93Å; E171-N175 PolarHBondContact O-N 2.98Å; E171-N175 PolarHBondContact O-ND2 3.17Å |
| 172 | R | 97.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 172 | -72.9 | 175.6 | -160.8 | 118.8 | -3.1 | 111.5 | L63 E165 A168 S169 K174 N175 K176 | L63-R172 HydrophobicContact CB-CB 4.12Å; L63-R172 HydrophobicContact CD2-CB 4.36Å; L63-R172 WeakPolarHBondContact O-CD 3.26Å; E165-R172 IonicContact OE1-NH1 2.74Å; E165-R172 PolarHBondContact OE1-NH1 3.45Å; A168-R172 WeakPolarHBondContact O-CG 3.41Å; A168-R172 PolarHBondContact O-N 2.88Å; S169-R172 PolarHBondContact O-N 3.33Å; S169-R172 PolarHBondContact OG-NH1 3.02Å; R172-K174 VanDerWaalsContact C-N 3.33Å; R172-K174 PolarHBondContact O-N 3.3Å; R172-N175 PolarHBondContact O-N 3.32Å; R172-N175 VanDerWaalsContact O-N 3.16Å; R172-K176 PolarHBondContact O-N 3.1Å |
| 173 | A | 96 | Very high | 96.2 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -35.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H61 L63 S169 F170 E171 N175 | H61-A173 VanDerWaalsContact O-CB 3.3Å; H61-A173 WeakPolarHBondContact O-CB 3.48Å; L63-A173 HydrophobicContact CB-CB 3.87Å; S169-A173 WeakPolarHBondContact O-CB 3.41Å; S169-A173 PolarHBondContact O-N 2.93Å; F170-A173 PolarHBondContact O-N 2.84Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 3.12Å; A173-N175 VanDerWaalsContact C-N 3.26Å; A173-N175 PolarHBondContact O-N 3.16Å |
| 174 | K | 93.9 | Very high | 96 | Very high | 116 Ų | 116 | 68.2 Ų | 68.2 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67 | -26.5 | 176.1 | -74.4 | 178.1 | -175.5 | 163.9 | 0 | 113.9 | F170 E171 R172 | F170-K174 HydrophobicContact CE1-CD 4.38Å; F170-K174 PolarHBondContact O-N 3.43Å; E171-K174 PolarHBondContact O-N 3.02Å; E171-K174 IonicContact OE1-NZ 2.76Å; E171-K174 PolarHBondContact OE1-NZ 3.27Å; E171-K174 IonicContact OE2-NZ 3.93Å; R172-K174 VanDerWaalsContact C-N 3.33Å; R172-K174 PolarHBondContact O-N 3.3Å |
| 175 | N | 91.8 | Very high | 95.8 | Very high | 134 Ų | 134 | 68.9 Ų | 68.9 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 7.1 | -174.5 | -67.6 | -55.8 | 0 | 0 | 0 | 113.2 | E171 R172 A173 | E171-N175 PolarHBondContact O-N 2.98Å; E171-N175 PolarHBondContact O-ND2 3.17Å; R172-N175 PolarHBondContact O-N 3.32Å; R172-N175 VanDerWaalsContact O-N 3.16Å; A173-N175 VanDerWaalsContact C-N 3.26Å; A173-N175 PolarHBondContact O-N 3.16Å |
| 176 | K | 82.9 | Confident | 95.5 | Very high | 214 Ų | 214 | 73.3 Ų | 73.3 | 93% | 0.93 | 36% | 0.361 | S | S | * | . | trans | -84.7 | 0 | 173.9 | -176.1 | 178.9 | 179.9 | 176.6 | 0 | 110.8 | L63 R172 | L63-K176 HydrophobicContact CD2-CB 4.46Å; L63-K176 HydrophobicContact CD2-CD 4.07Å; R172-K176 PolarHBondContact O-N 3.1Å |
Retrieved 176 of 176 residues in 53.1 ms
(Link to these results)